Geometry & MOs

Info

ID:

115410

PubChem CID:

50521890

Reduced:

Cl2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

694.243724

ΔHf, kcal/mol:

-190.37

Dipole, Da:

4.47

IP(EA), eV:

 -8.78(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)Cl

DOS

IR

Vibrations