Geometry & MOs

Info

ID:	275948
PubChem CID:	103819358
Reduced:	BrON2F3H6C12 (1)
Stoich.:	ABC2D3E6F12 (1)
Weight, g/mol:	314.00885
ΔH_f, kcal/mol:	-121.94
Dipole, Da:	3.19
IP(EA), eV:	-9.48(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopyridin-3-yl)-2-(thian-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)NC(=O)C2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations