Geometry & MOs

Info

ID:	164228
PubChem CID:	74382443
Reduced:	FSO3N6C23H29 (1)
Stoich.:	ABC3D6E23F29 (1)
Weight, g/mol:	342.146724
ΔH_f, kcal/mol:	-58.5
Dipole, Da:	4.36
IP(EA), eV:	-8.91(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-7-(4-hydroxybut-2-enyl)-2-methoxy-6-pent-1-enylnaphthalene-1,4-dione

Drug info:

PubChemData

Smile

CC(C)N1N=C(N=N1)N2CCC(CC2)C(C)OC3=CN=C(C=C3)C4=C(C=C(C=C4)S(=O)(=O)C)F

DOS

IR

Vibrations