Geometry & MOs

Info

ID:	168840
PubChem CID:	75025927
Reduced:	BrSN4O5C25H27 (1)
Stoich.:	ABC4D5E25F27 (1)
Weight, g/mol:	820.561505
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	6.25
IP(EA), eV:	-8.63(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methyl-14-[2-[methyl-[12-[methyl-[2-(16-methyl-5-oxo-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-3,6,16-trien-14-yl)-2-oxoethyl]amino]dodecyl]amino]acetyl]-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-3,6,16-trien-5-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCS(=O)(=O)NC1=C(C=CC(=C1)C2C(C(CCN2CC3=CN=CC=C3)C4=CC=CC=C4Br)[N+](=O)[O-])O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCS(=O)(=O)NC1=C(C=CC(=C1)C2C(C(CCN2CC3=CN=CC=C3)C4=CC=CC=C4Br)[N+](=O)[O-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):