Geometry & MOs

Info

ID:	70162
PubChem CID:	47208227
Reduced:	S2N3O3C12H13 (1)
Stoich.:	A2B3C3D12E13 (1)
Weight, g/mol:	335.0321
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	6.15
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-fluoro-N-[1-(2-methylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(N=CS2)C)S(=O)(=O)N

DOS

IR

Vibrations