Geometry & MOs

Info

ID:	208114
PubChem CID:	80496358
Reduced:	SN5C10H13 (1)
Stoich.:	AB5C10D13 (1)
Weight, g/mol:	213.068431
ΔH_f, kcal/mol:	84.61
Dipole, Da:	0.77
IP(EA), eV:	-9.06(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC1CCCC2=C1SC(=N2)C3=NNN=C3

DOS

IR

Vibrations