Geometry & MOs

Info

ID:

222810

PubChem CID:

85332603

Reduced:

ON5C14H16 (2)

Stoich.:

AB5C14D16 (2)

Weight, g/mol:

540.27097

ΔHf, kcal/mol:

59.36

Dipole, Da:

3.15

IP(EA), eV:

 -8.82(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=NN=C(N)N)C1=CC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=NN=C(N)N)C

DOS

IR

Vibrations