Geometry & MOs

Info

ID:

115420

PubChem CID:

50522475

Reduced:

ClO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-194.32

Dipole, Da:

3.82

IP(EA), eV:

 -8.4(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations