Geometry & MOs

Info

ID:	199065
PubChem CID:	79193511
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-189.25
Dipole, Da:	4.98
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-N-(2-methyl-5-methylsulfonylphenyl)butanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCC(C)O

DOS

IR

Vibrations