Geometry & MOs

Info

ID:	209844
PubChem CID:	80730589
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	394.90454
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	3.76
IP(EA), eV:	-9.73(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-(5-bromo-2-fluorophenyl)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CN2CCCC2=O

DOS

IR

Vibrations