Geometry & MOs

Info

ID:	151348
PubChem CID:	53801110
Reduced:	ClO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	332.135863
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	4.21
IP(EA), eV:	-9.45(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5R,7S)-5,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3CCC(=O)C4)CCl

DOS

IR

Vibrations