Geometry & MOs

Info

ID:	422104
PubChem CID:	135117207
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	348.09662
ΔH_f, kcal/mol:	-53.38
Dipole, Da:	3.6
IP(EA), eV:	-8.89(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-thiazol-4-yl)-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

C1C[C@H]2CN(CCCN2C1)C3=NOC(=C3C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations