Geometry & MOs

Info

ID:	307269
PubChem CID:	125299310
Reduced:	SN6C12H14 (1)
Stoich.:	AB6C12D14 (1)
Weight, g/mol:	274.100066
ΔH_f, kcal/mol:	164.51
Dipole, Da:	5.26
IP(EA), eV:	-8.57(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2,3-dihydrobenzotriazol-1-ylmethyl)-4-prop-2-enyl-3H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations