Geometry & MOs

Info

ID:	45969
PubChem CID:	10519880
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	322.196651
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	8.03
IP(EA), eV:	-8.22(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,2R,5R)-4-[(S)-(4-methylphenyl)sulfinyl]-5-propan-2-ylnon-3-en-2-ol

Drug info:

PubChemData

Smile

C/C=C/CC(CN/C=C\1/C=CC=CC1=O)N/C=C\2/C=CC=CC2=O

DOS

IR

Vibrations