Geometry & MOs

Info

ID:	151288
PubChem CID:	53790988
Reduced:	ClON5C24H42 (1)
Stoich.:	ABC5D24E42 (1)
Weight, g/mol:	400.224974
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	6.01
IP(EA), eV:	-9.32(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOCCCN(C(=N)N)C(=NCC1=CC=C(C=C1)Cl)N

DOS

IR

Vibrations