Geometry & MOs

Info

ID:

116913

PubChem CID:

50580773

Reduced:

Cl2O5N6C33H44 (1)

Stoich.:

A2B5C6D33E44 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-229.15

Dipole, Da:

6.98

IP(EA), eV:

 -8.88(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations