Geometry & MOs

Info

ID:	323284
PubChem CID:	126673984
Reduced:	Cl2N2O4C29H30 (1)
Stoich.:	A2B2C4D29E30 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	3.4
IP(EA), eV:	-8.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[2,3-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C(C)C)N(C)CC4CC=CC(=C4)C(=O)O

DOS

IR

Vibrations