Geometry & MOs

Info

ID:	5873
PubChem CID:	13938
Reduced:	NSO2C6H10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	320.086449
ΔH_f, kcal/mol:	-171.93
Dipole, Da:	1.68
IP(EA), eV:	-8.7(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;3-(2-sulfanylethylamino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.C(CNCCS)C(=O)N

DOS

IR

Vibrations