Geometry & MOs

Info

ID:	191139
PubChem CID:	78109842
Reduced:	O11C43H62 (1)
Stoich.:	A11B43C62 (1)
Weight, g/mol:	432.043437
ΔH_f, kcal/mol:	-488.34
Dipole, Da:	3.56
IP(EA), eV:	-9.34(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 5-chlorothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)O)OC)C)OC6(C4)C=CC(C(O6)C7CCCCC7)C)O

DOS

IR

Vibrations