Geometry & MOs

Info

ID:	413167
PubChem CID:	135086112
Reduced:	S2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	240.136159
ΔH_f, kcal/mol:	-83.09
Dipole, Da:	4.81
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4Z,7S,10S,11aR)-7,10-dihydroxy-10-methyl-3,3a,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-2-one

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=CC=C1C2SCCS2)/C(=O)OC

DOS

IR

Vibrations