Geometry & MOs

Info

ID:	150503
PubChem CID:	53790195
Reduced:	SO3N4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	34.53
Dipole, Da:	8.61
IP(EA), eV:	-9.21(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-hydroxy-2-[(4-imidazol-1-yl-2-methylbutan-2-yl)amino]ethyl]-2-(hydroxymethyl)phenol

Drug info:

PubChemData

Smile

COC=CC=C(C#N)C(=C(C#N)C#N)C1=CC=C(C=C1)NS(=O)(=O)C

DOS

IR

Vibrations