Geometry & MOs

Info

ID:	388358
PubChem CID:	134988897
Reduced:	S3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	248.117746
ΔH_f, kcal/mol:	70.16
Dipole, Da:	2.53
IP(EA), eV:	-8.8(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-diethoxyphosphoryl-2,3-dimethylpent-4-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=S)SC(=S)C

DOS

IR

Vibrations