Geometry & MOs

Info

ID:	268358
PubChem CID:	103599069
Reduced:	FNSO4C13H14 (1)
Stoich.:	ABCD4E13F14 (1)
Weight, g/mol:	380.059756
ΔH_f, kcal/mol:	-107.02
Dipole, Da:	4.18
IP(EA), eV:	-8.79(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloropyridin-3-yl)methylsulfonyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCSCCOC(=O)C=CC1=C(C=C(C=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations