Geometry & MOs

Info

ID:

119922

PubChem CID:

50707288

Reduced:

ClN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-159.96

Dipole, Da:

12.19

IP(EA), eV:

 -8.75(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-6-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations