Geometry & MOs

Info

ID:	239297
PubChem CID:	93166275
Reduced:	ClFSN2O3H24C26 (1)
Stoich.:	ABCD2E3F24G26 (1)
Weight, g/mol:	498.11802
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	5.65
IP(EA), eV:	-8.93(-0.82)
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]-N-cyclopropyl-2-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CC=C5F

DOS

IR

Vibrations