Geometry & MOs

Info

ID:	223432
PubChem CID:	85335036
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	358.117356
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	4.33
IP(EA), eV:	-9.58(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(phenylsulfanylmethyl)-1,3-thiazol-4-yl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1C2CC(C(=O)NC2CC3C1OCO3)C4=CSC(=N4)C5=CC=NC=C5

DOS

IR

Vibrations