Geometry & MOs

Info

ID:

116721

PubChem CID:

50572652

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-220.9

Dipole, Da:

12.03

IP(EA), eV:

 -8.86(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-[2-(cyclopentylcarbamoyl)-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)N4CCCC4)C)Cl

DOS

IR

Vibrations