Geometry & MOs

Info

ID:	56920
PubChem CID:	22394889
Reduced:	SN4O6C19H24 (1)
Stoich.:	AB4C6D19E24 (1)
Weight, g/mol:	449.162057
ΔH_f, kcal/mol:	-186.0
Dipole, Da:	9.58
IP(EA), eV:	-9.51(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydroxy-1-phenylnon-8-yn-2-yl)-2-[methyl(methylsulfonyl)amino]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=NC(=CO1)C(=O)NC(CC2=CC=CC=C2)C(C(CCCC#N)O)O

DOS

IR

Vibrations