Geometry & MOs

Info

ID:	217036
PubChem CID:	85087147
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	326.172939
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	5.15
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-(2-methoxy-2-oxoethyl)-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=CC2=CC=CO2)C(=O)NC3=NC=CS3

DOS

IR

Vibrations