Geometry & MOs

Info

ID:	276804
PubChem CID:	103825325
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-89.73
Dipole, Da:	7.26
IP(EA), eV:	-9.08(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

DOS

IR

Vibrations