Geometry & MOs

Info

ID:

120062

PubChem CID:

50712568

Reduced:

ClO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

694.267046

ΔHf, kcal/mol:

-148.01

Dipole, Da:

9.66

IP(EA), eV:

 -8.47(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamidoanilino)-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations