Geometry & MOs

Info

ID:

327622

PubChem CID:

126690544

Reduced:

O2N3C25H25 (1)

Stoich.:

A2B3C25D25 (1)

Weight, g/mol:

661.290034

ΔHf, kcal/mol:

15.84

Dipole, Da:

6.26

IP(EA), eV:

 -8.92(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[(E)-[N-methyl-C-[4-(4-methylphenyl)phenyl]carbonimidoyl]oxyiminomethyl]phenyl]methyl-[4-[(2-morpholin-4-ylacetyl)amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N=C(C3=CC=C(C=C3)CN(C)CC=O)N

DOS

IR

Vibrations