Geometry & MOs

Info

ID:	291962
PubChem CID:	113993753
Reduced:	BrClON2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	239.115758
ΔH_f, kcal/mol:	8.27
Dipole, Da:	1.88
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dihydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)OCC2=CN=C(C=N2)Cl

DOS

IR

Vibrations