Geometry & MOs

Info

ID:	138083
PubChem CID:	52310419
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	349.0136
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	3.88
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)-1-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CO2)CS(=O)(=O)CC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations