Geometry & MOs

Info

ID:

114425

PubChem CID:

50482309

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

627.181538

ΔHf, kcal/mol:

-177.54

Dipole, Da:

6.05

IP(EA), eV:

 -8.84(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,3-dichloroanilino)-3-oxopropyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations