Geometry & MOs

Info

ID:	239459
PubChem CID:	93166523
Reduced:	ClFSN2O3H24C26 (1)
Stoich.:	ABCD2E3F24G26 (1)
Weight, g/mol:	498.11802
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	4.39
IP(EA), eV:	-9.0(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C=CCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations