Geometry & MOs

Info

ID:	280992
PubChem CID:	103852335
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	314.99286
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	3.65
IP(EA), eV:	-9.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-hydroxy-N-methyl-N-(thiolan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C1CCC1)NC(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations