Geometry & MOs

Info

ID:	207956
PubChem CID:	80474263
Reduced:	BrNOS2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	317.8917
ΔH_f, kcal/mol:	21.4
Dipole, Da:	1.5
IP(EA), eV:	-9.17(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-(3-chloro-2-fluorophenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations