Geometry & MOs

Info

ID:	435862
PubChem CID:	135192598
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	486.243995
ΔH_f, kcal/mol:	61.0
Dipole, Da:	1.49
IP(EA), eV:	-9.01(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3Z,5E)-5-tert-butylocta-3,5-dien-7-ynoyl]oxy-2,6-dicyclopentylcyclohexa-1,3-diene-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1(C(N1)(C2=CC=C(C=C2)C3(CCCC3)O)C45C(N4)(N5)C)C

DOS

IR

Vibrations