Geometry & MOs

Info

ID:

95454

PubChem CID:

50009450

Reduced:

N4O4C25H32 (1)

Stoich.:

A4B4C25D32 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-140.79

Dipole, Da:

5.53

IP(EA), eV:

 -8.44(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations