Geometry & MOs

Info

ID:

113003

PubChem CID:

50428727

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

629.276883

ΔHf, kcal/mol:

-136.83

Dipole, Da:

7.05

IP(EA), eV:

 -8.83(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-[1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C(=CC=C4)Cl)C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations