Geometry & MOs

Info

ID:	396601
PubChem CID:	135028821
Reduced:	NO2C23H31 (1)
Stoich.:	AB2C23D31 (1)
Weight, g/mol:	354.103814
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.23
IP(EA), eV:	-8.18(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(1,3-thiazol-2-yl)-3H-isoindol-1-one

Drug info:

PubChemData

Smile

C/C(=C\CC[C@H]1CC2=C([C@]1(C)C(=C)CCCO)NC3=CC=CC=C23)/CO

DOS

IR

Vibrations