Geometry & MOs

Info

ID:	384952
PubChem CID:	134978022
Reduced:	NSO5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	152.08373
ΔH_f, kcal/mol:	-157.33
Dipole, Da:	5.4
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC[C@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations