Geometry & MOs

Info

ID:

102319

PubChem CID:

50066225

Reduced:

F2O3N4C29H30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

591.265711

ΔHf, kcal/mol:

-166.51

Dipole, Da:

3.09

IP(EA), eV:

 -9.18(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations