Geometry & MOs

Info

ID:

111001

PubChem CID:

50347999

Reduced:

O5N6C35H50 (1)

Stoich.:

A5B6C35D50 (1)

Weight, g/mol:

525.214282

ΔHf, kcal/mol:

-225.53

Dipole, Da:

9.96

IP(EA), eV:

 -8.7(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-carbamoyl-4-chlorophenyl)-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)CC)C

DOS

IR

Vibrations