Geometry & MOs

Info

ID:

119782

PubChem CID:

50701112

Reduced:

Cl2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

720.259374

ΔHf, kcal/mol:

-202.16

Dipole, Da:

7.04

IP(EA), eV:

 -8.93(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations