Geometry & MOs

Info

ID:	379420
PubChem CID:	134419396
Reduced:	OSC16H18 (2)
Stoich.:	ABC16D18 (2)
Weight, g/mol:	344.162374
ΔH_f, kcal/mol:	42.09
Dipole, Da:	3.29
IP(EA), eV:	-8.26(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(hydroxymethyl)-18-methyl-3,12-dioxatricyclo[13.3.1.16,10]icosa-1(18),6(20),7,9,15(19),16-hexaene-2,11-diol

Drug info:

PubChemData

Smile

CC1(C(C2=CC3=C(C=C2)C(=CC=C3)CSSCC4=CC=CC5=C4C=CC(=C5)CCCO1)C(C)(C)C)O

DOS

IR

Vibrations