Geometry & MOs

Info

ID:	221708
PubChem CID:	85286062
Reduced:	SiN3O8C31H41 (1)
Stoich.:	AB3C8D31E41 (1)
Weight, g/mol:	609.363868
ΔH_f, kcal/mol:	-370.58
Dipole, Da:	3.11
IP(EA), eV:	-9.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(3-aminopropyl)-9-(1H-indol-3-ylmethyl)-6-(2-methylpropyl)-3-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone

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

CC1CN(C(=O)NC1=O)C2C(C(C(O2)C(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N)OC(=O)C)OC(=O)C

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

CC1CN(C(=O)NC1=O)C2C(C(C(O2)C(CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):