Geometry & MOs

Info

ID:	275576
PubChem CID:	103816648
Reduced:	BrO2F3N3H9C12 (1)
Stoich.:	AB2C3D3E9F12 (1)
Weight, g/mol:	381.00098
ΔH_f, kcal/mol:	-186.83
Dipole, Da:	7.76
IP(EA), eV:	-9.61(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations