Geometry & MOs

Info

ID:	176761
PubChem CID:	76094860
Reduced:	SN2O4C24H34 (1)
Stoich.:	AB2C4D24E34 (1)
Weight, g/mol:	352.224974
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	0.81
IP(EA), eV:	-8.78(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[7-(hexoxymethyl)-3,8-dioxatricyclo[3.2.1.02,4]octan-6-yl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC1(C2CC1C(C(C2)NS(=O)OC3=CC=CC=C3)CC=CCCCC(=O)NCC=O)C

DOS

IR

Vibrations