Geometry & MOs

Info

ID:

116650

PubChem CID:

50570410

Reduced:

Cl2O5N6C39H52 (1)

Stoich.:

A2B5C6D39E52 (1)

Weight, g/mol:

651.201525

ΔHf, kcal/mol:

-247.72

Dipole, Da:

3.89

IP(EA), eV:

 -9.12(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]phenyl]-1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations