Geometry & MOs

Info

ID:

315292

PubChem CID:

126625439

Reduced:

N4O7C51H54 (1)

Stoich.:

A4B7C51D54 (1)

Weight, g/mol:

383.148121

ΔHf, kcal/mol:

-163.98

Dipole, Da:

5.81

IP(EA), eV:

 -8.9(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-N-[N'-[2-(3,4-dimethoxyphenyl)acetyl]carbamimidoyl]-C-methylcarbonimidoyl]benzoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC4CN(C4)C(=O)C5=CC=C(C=C5)CCNC[C@@H](C6=C7C=CC(=O)NC7=C(C=C6)O)O)CC8=CC=CC=C8

DOS

IR

Vibrations