Geometry & MOs

Info

ID:	209822
PubChem CID:	80727098
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	346.084341
ΔH_f, kcal/mol:	45.31
Dipole, Da:	1.72
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminophenyl)sulfanyl-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=NC(=C2C=N1)NC)C

DOS

IR

Vibrations