Geometry & MOs

Info

ID:

113555

PubChem CID:

50450697

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

694.267046

ΔHf, kcal/mol:

-156.0

Dipole, Da:

8.53

IP(EA), eV:

 -8.75(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations