Geometry & MOs

Info

ID:	403309
PubChem CID:	135059668
Reduced:	OPC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	482.096166
ΔH_f, kcal/mol:	-96.35
Dipole, Da:	4.85
IP(EA), eV:	-9.33(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [(E)-2-diphenylphosphinothioyl-1-(2,4,6-trimethylphenyl)ethenyl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

C1CCC(CC1)P2(=O)CCC=CCC2

DOS

IR

Vibrations