Geometry & MOs

Info

ID:	307268
PubChem CID:	125299309
Reduced:	PO5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	274.100066
ΔH_f, kcal/mol:	-247.54
Dipole, Da:	4.84
IP(EA), eV:	-9.44(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C\COP(=O)(OC)OC)/COCC1=CC=CC=C1

DOS

IR

Vibrations