Geometry & MOs

Info

ID:

112755

PubChem CID:

50418209

Reduced:

O4N5C30H41 (1)

Stoich.:

A4B5C30D41 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-171.46

Dipole, Da:

5.68

IP(EA), eV:

 -8.68(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(C)C)C(=O)NC

DOS

IR

Vibrations