Geometry & MOs

Info

ID:	46062
PubChem CID:	10520990
Reduced:	SN2O2H18C19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	-6.92
Dipole, Da:	5.09
IP(EA), eV:	-8.49(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,8R,11R)-3-[3-(1,3-dioxolan-2-yl)propyl]-11-methyl-8-propan-2-yl-1,5-dioxaspiro[5.5]undec-2-en-4-one

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C2N1)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations