Geometry & MOs

Info

ID:	246745
PubChem CID:	103064775
Reduced:	OSN2F3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-192.65
Dipole, Da:	3.81
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-2-(propylamino)-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(C(=CC=C2)C(F)(F)F)N

DOS

IR

Vibrations