Geometry & MOs

Info

ID:	282901
PubChem CID:	103944754
Reduced:	NSBr2O2C9H11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	-58.32
Dipole, Da:	4.14
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dihydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(CO)NC(=O)C1=C(SC(=C1)Br)Br

DOS

IR

Vibrations