Geometry & MOs

Info

ID:	26974
PubChem CID:	808027
Reduced:	SN3O4C15H23 (1)
Stoich.:	AB3C4D15E23 (1)
Weight, g/mol:	339.075157
ΔH_f, kcal/mol:	-87.32
Dipole, Da:	7.02
IP(EA), eV:	-8.89(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C

DOS

IR

Vibrations