Geometry & MOs

Info

ID:	189649
PubChem CID:	77884965
Reduced:	N4O7C32H38 (1)
Stoich.:	A4B7C32D38 (1)
Weight, g/mol:	382.271924
ΔH_f, kcal/mol:	-232.64
Dipole, Da:	1.65
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,3-trihydroxy-7-[2-(7-methylnon-1-enyl)cyclopentyl]hept-5-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)NNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations