Geometry & MOs

Info

ID:	388625
PubChem CID:	134989686
Reduced:	N3S3O4C8H17 (1)
Stoich.:	A3B3C4D8E17 (1)
Weight, g/mol:	252.077789
ΔH_f, kcal/mol:	-164.24
Dipole, Da:	9.61
IP(EA), eV:	-8.39(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-3-phenyltriazol-1-ium-4-yl)acetamide;chloride

Drug info:

PubChemData

Smile

CCN(CC)C1=S(SC(=N1)N(C)C)OS(=O)(=O)O

DOS

IR

Vibrations