Geometry & MOs

Info

ID:	232903
PubChem CID:	87577544
Reduced:	ClON6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	668.252765
ΔH_f, kcal/mol:	-3.23
Dipole, Da:	5.86
IP(EA), eV:	-8.82(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-bis(1,2-dihydroxyethyl)-6-(2-ethoxycarbonylprop-2-enoxycarbonyl)-4,5,8,9-tetrahydroxynon-6-enoic acid;2-methylprop-2-enoic acid

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)N(N=C2CN3CC(C4=C3N=C(N=C4Cl)N)CO)C)C

DOS

IR

Vibrations