Geometry & MOs

Info

ID:

111127

PubChem CID:

50352966

Reduced:

O4N5C31H41 (1)

Stoich.:

A4B5C31D41 (1)

Weight, g/mol:

596.251396

ΔHf, kcal/mol:

-161.6

Dipole, Da:

6.88

IP(EA), eV:

 -8.82(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-4-chloroanilino)-3-oxopropyl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCC4)C(=O)NCC(C)C

DOS

IR

Vibrations