Geometry & MOs

Info

ID:	209841
PubChem CID:	80730443
Reduced:	S2F3N3O4C9H12 (1)
Stoich.:	A2B3C3D4E9F12 (1)
Weight, g/mol:	328.029997
ΔH_f, kcal/mol:	-233.55
Dipole, Da:	9.23
IP(EA), eV:	-9.62(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-nitro-N-(2-pyridin-3-ylethyl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C(S1)S(=O)(=O)N(C)CC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations