Geometry & MOs

Info

ID:	415612
PubChem CID:	135088611
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	3.85
IP(EA), eV:	-9.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxo-3-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpropyl)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N2CCCN(CC2)C(=O)C3=C(N=C(S3)C)C

DOS

IR

Vibrations