Geometry & MOs

Info

ID:	221521
PubChem CID:	85273813
Reduced:	O3C20H24 (1)
Stoich.:	A3B20C24 (1)
Weight, g/mol:	312.13953
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	2.23
IP(EA), eV:	-8.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(cyclohexylsulfanylmethyl)-8-hydroxy-3-methyl-2,9-dioxatricyclo[4.3.1.03,8]decan-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC(CCOC(=O)C)C2=CC=CC=C2)C)C

DOS

IR

Vibrations