Geometry & MOs

Info

ID:	183427
PubChem CID:	77021593
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	286.121195
ΔH_f, kcal/mol:	-104.17
Dipole, Da:	7.57
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methyl-N-[1-(tetrazolidin-5-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC(=O)O)NC(=O)C2CCSC2

DOS

IR

Vibrations