Geometry & MOs

Info

ID:	383591
PubChem CID:	134975390
Reduced:	SO3N5C35H35 (1)
Stoich.:	AB3C5D35E35 (1)
Weight, g/mol:	230.151809
ΔH_f, kcal/mol:	23.32
Dipole, Da:	10.46
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-7,8-dihydroxy-8-methylnon-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)C[C@@H](CSC2=NN=NN2C3=CC=CC=C3)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

DOS

IR

Vibrations