Geometry & MOs

Info

ID:	26975
PubChem CID:	808521
Reduced:	NOS2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	339.075157
ΔH_f, kcal/mol:	33.11
Dipole, Da:	3.33
IP(EA), eV:	-9.05(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H]2C3=C(CCN2C(=O)C4=CC=CS4)SC=C3

DOS

IR

Vibrations