Geometry & MOs

Info

ID:	209842
PubChem CID:	80730444
Reduced:	S2N4O4C11H12 (1)
Stoich.:	A2B4C4D11E12 (1)
Weight, g/mol:	327.034748
ΔH_f, kcal/mol:	-29.68
Dipole, Da:	8.64
IP(EA), eV:	-9.83(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[(2-methylphenyl)methyl]-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CCNS(=O)(=O)C2=CC(=C(S2)N)[N+](=O)[O-]

DOS

IR

Vibrations