Geometry & MOs

Info

ID:	402972
PubChem CID:	135058128
Reduced:	PO2C21H23 (1)
Stoich.:	AB2C21D23 (1)
Weight, g/mol:	498.054695
ΔH_f, kcal/mol:	-76.32
Dipole, Da:	3.91
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-2-diphenylphosphinothioyl-1-ethoxycarbothioylsulfanylethenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)[P@](=O)(C1=CC=CC=C1)C(C2=CC3=CC=CC=C3C=C2)O

DOS

IR

Vibrations