Geometry & MOs

Info

ID:	404446
PubChem CID:	135066305
Reduced:	NSO5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	238.156895
ΔH_f, kcal/mol:	-165.3
Dipole, Da:	6.25
IP(EA), eV:	-9.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-methyl-4-(2-methylpropoxy)-2-oxocyclohex-3-en-1-yl]propanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H]([C@H](C2=CC=CC=C2)O)C(=O)OC

DOS

IR

Vibrations