Geometry & MOs

Info

ID:	272637
PubChem CID:	103750641
Reduced:	BrFNOH13C14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	367.99943
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	2.53
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-5-fluoroanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations