Geometry & MOs

Info

ID:	148139
PubChem CID:	53787801
Reduced:	SCl2O2N3H15C16 (1)
Stoich.:	AB2C2D3E15F16 (1)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-3.74
Dipole, Da:	6.57
IP(EA), eV:	-8.34(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-5-methyldec-1-enyl)-2-(8-hydroxy-7-oxooct-2-enyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CSC1=NNC(=N1)CC2=C(C=CC(=C2Cl)Cl)C(=O)CC(=O)C3CC3

DOS

IR

Vibrations