Geometry & MOs

Info

ID:	420784
PubChem CID:	135114808
Reduced:	O3N5C19H21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	391.091201
ΔH_f, kcal/mol:	-25.63
Dipole, Da:	6.28
IP(EA), eV:	-8.58(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylsulfonylphenyl)-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=CNC(=C(C1=O)C)CNC(=O)CCCC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations