Geometry & MOs

Info

ID:	403769
PubChem CID:	135061782
Reduced:	O3C16H24 (1)
Stoich.:	A3B16C24 (1)
Weight, g/mol:	266.079908
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	0.94
IP(EA), eV:	-9.1(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1,3-dithian-2-yl)-4-phenylbutan-2-one

Drug info:

PubChemData

Smile

CC1=C([C@@H]([C@](C12CC2)(C)O)O)C(=C)C/C(=C/CO)/C

DOS

IR

Vibrations