Geometry & MOs

Info

ID:	45979
PubChem CID:	10519981
Reduced:	NOSC19H33 (1)
Stoich.:	ABCD19E33 (1)
Weight, g/mol:	323.049526
ΔH_f, kcal/mol:	-77.97
Dipole, Da:	7.9
IP(EA), eV:	-8.14(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC(=CCCC[C@@]1(CCC[C@H]1CC(=S)N2CCCC2)CO)C

DOS

IR

Vibrations