Geometry & MOs

Info

ID:	282389
PubChem CID:	103925030
Reduced:	BrNOF3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	366.98533
ΔH_f, kcal/mol:	-133.23
Dipole, Da:	3.3
IP(EA), eV:	-10.22(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(thiolan-2-ylmethyl)-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CC(CC#C)NC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F

DOS

IR

Vibrations