Geometry & MOs

Info

ID:	178806
PubChem CID:	76384576
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	489.254895
ΔH_f, kcal/mol:	-111.78
Dipole, Da:	4.3
IP(EA), eV:	-9.22(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-cyclohexyl-2-(3-hydroxy-3-methylbutyl)-2-methyl-3-oxomorpholin-4-yl]-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(CO1)C2CCCCC2)C3=C(SC(=C3)C#CC(C)(C)C)C(=O)O)CC#N

DOS

IR

Vibrations