Geometry & MOs

Info

ID:

115122

PubChem CID:

50510147

Reduced:

F2O3N4C29H30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

566.211153

ΔHf, kcal/mol:

-159.35

Dipole, Da:

2.53

IP(EA), eV:

 -9.02(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations