Geometry & MOs

Info

ID:

117014

PubChem CID:

50584980

Reduced:

ClO3N4C29H39 (1)

Stoich.:

AB3C4D29E39 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-141.6

Dipole, Da:

6.33

IP(EA), eV:

 -8.97(-0.45)

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-[4-chloro-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)CC)C

DOS

IR

Vibrations