Geometry & MOs

Info

ID:	191213
PubChem CID:	78118194
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	-108.83
Dipole, Da:	3.39
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6,8-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate

Drug info:

PubChemData

Smile

CC(C1CN(C1=O)C(=S)NCC=C)OC(=O)COCC2=CC=CC=C2

DOS

IR

Vibrations