Geometry & MOs

Info

ID:	277707
PubChem CID:	103830481
Reduced:	BrN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	349.99359
ΔH_f, kcal/mol:	-21.54
Dipole, Da:	4.03
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-hydroxy-N-[3-(methanesulfonamido)propyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=NC=C1)C(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations