Geometry & MOs

Info

ID:	422554
PubChem CID:	135118027
Reduced:	SO4N7C27H35 (1)
Stoich.:	AB4C7D27E35 (1)
Weight, g/mol:	389.111936
ΔH_f, kcal/mol:	-87.82
Dipole, Da:	3.32
IP(EA), eV:	-9.13(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyphenyl)sulfanyl-1-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCC4=C(N=CS4)C

DOS

IR

Vibrations