Geometry & MOs

Info

ID:	216369
PubChem CID:	85086114
Reduced:	ClNSH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	260.125988
ΔH_f, kcal/mol:	73.82
Dipole, Da:	2.32
IP(EA), eV:	-8.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8,9-dihydroxy-2,2-dimethyl-1,3-dioxaspiro[4.5]decan-7-yl) acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(N2)Cl)C=CC3=CC=CS3

DOS

IR

Vibrations