Geometry & MOs

Info

ID:	31736
PubChem CID:	3288075
Reduced:	OSN5C25H25 (1)
Stoich.:	ABC5D25E25 (1)
Weight, g/mol:	450.177727
ΔH_f, kcal/mol:	63.48
Dipole, Da:	3.0
IP(EA), eV:	-8.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-3-fluoro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC(=NS4)CC5=CC=CC=C5

DOS

IR

Vibrations