Geometry & MOs

Info

ID:

102347

PubChem CID:

50066508

Reduced:

FO3N4C30H33 (1)

Stoich.:

AB3C4D30E33 (1)

Weight, g/mol:

670.327897

ΔHf, kcal/mol:

-136.63

Dipole, Da:

9.2

IP(EA), eV:

 -8.87(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations