Geometry & MOs

Info

ID:

108586

PubChem CID:

50250667

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-194.3

Dipole, Da:

8.31

IP(EA), eV:

 -8.68(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations