Geometry & MOs

Info

ID:

119032

PubChem CID:

50668243

Reduced:

ClN4O4C27H35 (1)

Stoich.:

AB4C4D27E35 (1)

Weight, g/mol:

686.275024

ΔHf, kcal/mol:

-160.86

Dipole, Da:

7.91

IP(EA), eV:

 -8.96(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations