Geometry & MOs

Info

ID:	415932
PubChem CID:	135088934
Reduced:	SN2O3C20H32 (1)
Stoich.:	AB2C3D20E32 (1)
Weight, g/mol:	340.12792
ΔH_f, kcal/mol:	-138.19
Dipole, Da:	2.77
IP(EA), eV:	-8.68(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-methylsulfanyl-1-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylbutan-1-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC=C(S2)CN3CCCCC3)C(=O)O

DOS

IR

Vibrations