Geometry & MOs

Info

ID:

119994

PubChem CID:

50710749

Reduced:

ClSO4N5C33H36 (1)

Stoich.:

ABC4D5E33F36 (1)

Weight, g/mol:

621.19096

ΔHf, kcal/mol:

-113.18

Dipole, Da:

4.37

IP(EA), eV:

 -8.59(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-1-[1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations