Geometry & MOs

Info

ID:	308346
PubChem CID:	125326262
Reduced:	SN6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	262.100066
ΔH_f, kcal/mol:	143.01
Dipole, Da:	6.67
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2,3-dihydrobenzotriazol-1-ylmethyl)-4-ethyl-3H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCN1[C@H](N=NC1=S)CN2C3=CC=CC=C3NN2

DOS

IR

Vibrations