Geometry & MOs

Info

ID:	143179
PubChem CID:	53158954
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	438.141342
ΔH_f, kcal/mol:	-59.22
Dipole, Da:	3.13
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorobenzoyl)-N-[1-(4-methoxyphenyl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC3=C(C2)C=C(S3)C(=O)NCC4=CC=CC=C4OC

DOS

IR

Vibrations