Geometry & MOs

Info

ID:	282398
PubChem CID:	103925226
Reduced:	BrNOSF3C13H13 (1)
Stoich.:	ABCDE3F13G13 (1)
Weight, g/mol:	386.89042
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	5.19
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-bromoprop-2-enyl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=C(C=C(C=C2)Br)C(F)(F)F

DOS

IR

Vibrations