Geometry & MOs

Info

ID:	402261
PubChem CID:	135055251
Reduced:	OSiCl4C16H16 (1)
Stoich.:	ABC4D16E16 (1)
Weight, g/mol:	250.069737
ΔH_f, kcal/mol:	-172.93
Dipole, Da:	4.21
IP(EA), eV:	-9.35(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,3R)-2-ethyl-1,3-dioxo-1,3-dithian-2-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@H](C2=CC=C(C=C2)C)Cl)O[Si](Cl)(Cl)Cl

DOS

IR

Vibrations