Geometry & MOs

Info

ID:	299618
PubChem CID:	117688170
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	474.146072
ΔH_f, kcal/mol:	-91.34
Dipole, Da:	6.0
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[4-hydroxy-4-[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylbutyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N(N2)C3=CC=CC=C3Cl

DOS

IR

Vibrations