Geometry & MOs

Info

ID:	177050
PubChem CID:	76130357
Reduced:	SN2O8C26H26 (1)
Stoich.:	AB2C8D26E26 (1)
Weight, g/mol:	398.303224
ΔH_f, kcal/mol:	-255.36
Dipole, Da:	3.89
IP(EA), eV:	-9.02(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,5-dihydroxy-2-(3-hydroxy-4,4-dimethyloctyl)cyclopentyl]butyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC=C4O

DOS

IR

Vibrations