Geometry & MOs

Info

ID:	325832
PubChem CID:	126685200
Reduced:	SO5C23H24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	404.202131
ΔH_f, kcal/mol:	-138.94
Dipole, Da:	8.39
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z,3S)-3-ethyl-1-(3-methylcyclohexa-1,5-dien-1-yl)-2-oxohept-4-enyl] (4S)-4-methylcyclohexa-1,5-diene-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)(C(=O)C3(CC=CC=C3)C)O

DOS

IR

Vibrations