Geometry & MOs

Info

ID:

97387

PubChem CID:

50031087

Reduced:

O5N6C39H42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

694.267046

ΔHf, kcal/mol:

-149.61

Dipole, Da:

14.33

IP(EA), eV:

 -8.57(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations