Geometry & MOs

Info

ID:	50862
PubChem CID:	12013451
Reduced:	PN2O2S2C17H19 (1)
Stoich.:	AB2C2D2E17F19 (1)
Weight, g/mol:	406.093857
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	5.57
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-2-sulfanylidene-1,3,2lambda5-oxazaphospholidin-3-yl]-N-propan-2-ylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CNC(=S)C1=CC=CC=C1N2CCOP2(=S)C3=CC=C(C=C3)OC

DOS

IR

Vibrations