Geometry & MOs

Info

ID:	323164
PubChem CID:	126673174
Reduced:	SO2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	56.96
Dipole, Da:	6.44
IP(EA), eV:	-8.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-dimethyl-2-(2-methyl-4-oxobutan-2-yl)phenoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=CC(=C1)C2=CN=C3N2N=C(S3)N(C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations