Geometry & MOs

Info

ID:

102273

PubChem CID:

50065813

Reduced:

FO4N5C32H36 (1)

Stoich.:

AB4C5D32E36 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-174.49

Dipole, Da:

5.15

IP(EA), eV:

 -8.7(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)C

DOS

IR

Vibrations