Geometry & MOs

Info

ID:	176210
PubChem CID:	76011244
Reduced:	NO2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	325.109627
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	3.67
IP(EA), eV:	-8.98(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-hydroxy-4-methylhepta-2,4-dienamide

Drug info:

PubChemData

Smile

CCC=CCC=CCC=CC=CCC=CCC=CCCC(=O)NCCO

DOS

IR

Vibrations