Geometry & MOs

Info

ID:	277726
PubChem CID:	103830593
Reduced:	BrClN2O2H8C12 (1)
Stoich.:	ABC2D2E8F12 (1)
Weight, g/mol:	302.99286
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	3.45
IP(EA), eV:	-9.65(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=NC=CC(=C2)Cl)O)Br

DOS

IR

Vibrations