Geometry & MOs

Info

ID:

114820

PubChem CID:

50497587

Reduced:

O4N5C34H41 (1)

Stoich.:

A4B5C34D41 (1)

Weight, g/mol:

651.261232

ΔHf, kcal/mol:

-141.99

Dipole, Da:

8.98

IP(EA), eV:

 -8.69(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations