Geometry & MOs

Info

ID:	180479
PubChem CID:	76639435
Reduced:	N3O11C51H69 (1)
Stoich.:	A3B11C51D69 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-458.98
Dipole, Da:	6.54
IP(EA), eV:	-8.67(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enal

Drug info:

PubChemData

Smile

CCCCC(CC)C(=O)OCCOC1=C(C(=O)C(=C2NC(=C3C=CC(=C(C3=O)C)OCOC(=O)C(CC)CCCC)NC(=C4C=CC(=C(C4=O)C)OC(=O)C(CC)CCCC)N2)C=C1)C

DOS

IR

Vibrations