Geometry & MOs

Info

ID:	309441
PubChem CID:	126546280
Reduced:	NSO6C14H17 (1)
Stoich.:	ABC6D14E17 (1)
Weight, g/mol:	381.124609
ΔH_f, kcal/mol:	-187.21
Dipole, Da:	8.03
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-but-2-ynoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-2-methyl-2-methylsulfonylpropane-1,1-diol

Drug info:

PubChemData

Smile

CC(CC1CC(=C2C=CC(=O)C=C2)NO1)(C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations