Geometry & MOs

Info

ID:	318242
PubChem CID:	126650034
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	462.210981
ΔH_f, kcal/mol:	32.23
Dipole, Da:	1.68
IP(EA), eV:	-8.28(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-hydroxy-7-[[(E)-5-hydroxy-7-[(2-methylpropan-2-yl)oxy]-7-oxohept-3-enyl]disulfanyl]hept-4-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CC(=NC(=C3N)N)N

DOS

IR

Vibrations