Geometry & MOs

Info

ID:	268355
PubChem CID:	103599053
Reduced:	ClFN2O4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	369.043084
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	2.5
IP(EA), eV:	-8.6(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-fluoro-2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C=CC2=C(C=C(C=C2)F)[N+](=O)[O-])Cl

DOS

IR

Vibrations