Geometry & MOs

Info

ID:

118841

PubChem CID:

50660524

Reduced:

Cl2O5N6C33H42 (1)

Stoich.:

A2B5C6D33E42 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-222.15

Dipole, Da:

13.71

IP(EA), eV:

 -8.87(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC

DOS

IR

Vibrations