Geometry & MOs

Info

ID:	129756
PubChem CID:	51073737
Reduced:	NOS2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	313.078407
ΔH_f, kcal/mol:	-4.98
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4-(4-fluorophenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)CCC3=CC=CS3)SC=C2

DOS

IR

Vibrations