Geometry & MOs

Info

ID:	194694
PubChem CID:	78577157
Reduced:	FSN3O4H14C17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	424.136474
ΔH_f, kcal/mol:	-30.86
Dipole, Da:	4.65
IP(EA), eV:	-9.28(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(dimethylsulfamoyl)-N-(2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)SCC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)F

DOS

IR

Vibrations