Geometry & MOs

Info

ID:	398367
PubChem CID:	135032996
Reduced:	INSH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	298.141638
ΔH_f, kcal/mol:	60.04
Dipole, Da:	2.21
IP(EA), eV:	-8.14(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-4,5,13-trihydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.01,5]tridecane-9,12-dione

Drug info:

PubChemData

Smile

C=C1N(C2=CC=CC=C2S1)I

DOS

IR

Vibrations