Geometry & MOs

Info

ID:

95256

PubChem CID:

50007546

Reduced:

ClO3N4C24H29 (1)

Stoich.:

AB3C4D24E29 (1)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-113.56

Dipole, Da:

10.16

IP(EA), eV:

 -8.78(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-methylphenyl)-1-[1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C(=CC=C3)Cl)C

DOS

IR

Vibrations