Geometry & MOs

Info

ID:	11210
PubChem CID:	111900
Reduced:	ClPSN3O3C10H19 (1)
Stoich.:	ABCD3E3F10G19 (1)
Weight, g/mol:	327.057327
ΔH_f, kcal/mol:	-181.59
Dipole, Da:	2.15
IP(EA), eV:	-9.37(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-chloro-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)(C)C

DOS

IR

Vibrations