Geometry & MOs

Info

ID:

109752

PubChem CID:

50296232

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-135.78

Dipole, Da:

7.22

IP(EA), eV:

 -8.77(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)C

DOS

IR

Vibrations