Geometry & MOs

Info

ID:	130912
PubChem CID:	51126835
Reduced:	SO3N4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	354.104956
ΔH_f, kcal/mol:	-92.8
Dipole, Da:	3.97
IP(EA), eV:	-8.39(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-3-(4-fluorophenyl)but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N/N=C\1/N(C2=CC=CC=C2S1)C

DOS

IR

Vibrations