Geometry & MOs

Info

ID:	222809
PubChem CID:	85332602
Reduced:	ON5C14H16 (2)
Stoich.:	AB5C14D16 (2)
Weight, g/mol:	540.27097
ΔH_f, kcal/mol:	55.51
Dipole, Da:	5.09
IP(EA), eV:	-8.33(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[1-[3-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide

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

CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=NN=C(N)N)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

CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C(=NN=C(N)N)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):