Geometry & MOs

Info

ID:	176758
PubChem CID:	76094617
Reduced:	ClON3C25H30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	410.303224
ΔH_f, kcal/mol:	-8.23
Dipole, Da:	10.92
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-dihydroxy-2-(10-hydroxydec-1-enyl)cyclopentyl]-4-ethylhept-5-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2C(=C3C=C(C(=CC3=NC2=O)Cl)C)NCCC4CCCN4C)C

DOS

IR

Vibrations