Geometry & MOs

Info

ID:	50864
PubChem CID:	12013453
Reduced:	PN2O2S2C20H25 (1)
Stoich.:	AB2C2D2E20F25 (1)
Weight, g/mol:	392.078207
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	7.81
IP(EA), eV:	-8.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-2-sulfanylidene-1,3,2lambda5-oxazaphosphinan-3-yl]-N-methylbenzenecarbothioamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations