Geometry & MOs

Info

ID:	340434
PubChem CID:	127262445
Reduced:	SN3O4C10H13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	10.32
IP(EA), eV:	-9.25(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl carbamimidothioate;2,5-dimethylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N.O

DOS

IR

Vibrations