Geometry & MOs

Info

ID:

120323

PubChem CID:

50722700

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

657.19096

ΔHf, kcal/mol:

-178.26

Dipole, Da:

7.97

IP(EA), eV:

 -9.14(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4CCCC4

DOS

IR

Vibrations