Geometry & MOs

Info

ID:	50861
PubChem CID:	12013450
Reduced:	PN2O2S2C19H23 (1)
Stoich.:	AB2C2D2E19F23 (1)
Weight, g/mol:	378.062557
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	8.69
IP(EA), eV:	-7.78(-0.7)
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-methylbenzenecarbothioamide

Drug info:

PubChemData

Smile

CCNC(=S)C1=CC=CC=C1N2CCCOP2(=S)C3=CC=C(C=C3)OC

DOS

IR

Vibrations