Geometry & MOs

Info

ID:	146864
PubChem CID:	53763359
Reduced:	FSO3C22H27 (1)
Stoich.:	ABC3D22E27 (1)
Weight, g/mol:	362.049874
ΔH_f, kcal/mol:	-156.4
Dipole, Da:	1.73
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-ethyl 1-O-(1-(114C)methoxyethyl) 2-dimethoxyphosphinothioylsulfanylbutanedioate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)SC2=CC(=CC(=C2)F)C3(CCOCC3)OC)O

DOS

IR

Vibrations