Geometry & MOs

Info

ID:	252932
PubChem CID:	103114995
Reduced:	S2O4N5C10H11 (1)
Stoich.:	A2B4C5D10E11 (1)
Weight, g/mol:	315.125277
ΔH_f, kcal/mol:	-4.79
Dipole, Da:	10.7
IP(EA), eV:	-9.85(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNS(=O)(=O)C2=NN=C(S2)N

DOS

IR

Vibrations