Geometry & MOs

Info

ID:	192252
PubChem CID:	78250326
Reduced:	SN2O3C24H38 (1)
Stoich.:	AB2C3D24E38 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-141.73
Dipole, Da:	6.49
IP(EA), eV:	-8.47(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-7-propoxy-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

CCC1CC2C(C(C1O)CN(CC(C)C)CC(C)C)OC=C(C2=O)C3=NC(=CS3)C

DOS

IR

Vibrations