Geometry & MOs

Info

ID:	280359
PubChem CID:	103848602
Reduced:	BrFON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	331.02416
ΔH_f, kcal/mol:	-36.73
Dipole, Da:	8.74
IP(EA), eV:	-9.14(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CN=C(C=C2)F)Br

DOS

IR

Vibrations