Geometry & MOs

Info

ID:	186265
PubChem CID:	77413396
Reduced:	NaSN2O3H13C14 (2)
Stoich.:	ABC2D3E13F14 (2)
Weight, g/mol:	390.204239
ΔH_f, kcal/mol:	-313.67
Dipole, Da:	24.79
IP(EA), eV:	-7.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-hydroxy-5-[1-(oxan-2-yloxy)-4-phenoxybut-1-enyl]cyclopentyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(SC2C1C(=O)NC(N2)C(=O)[O-])C3=CC=CC=C3.CC1=C(SC2C1C(=O)NC(N2)C(=O)[O-])C3=CC=CC=C3.[Na+].[Na+]

DOS

IR

Vibrations