Geometry & MOs

Info

ID:

334207

PubChem CID:

127252759

Reduced:

ClN5O8H32C34 (1)

Stoich.:

AB5C8D32E34 (1)

Weight, g/mol:

377.147452

ΔHf, kcal/mol:

-215.43

Dipole, Da:

11.25

IP(EA), eV:

 -8.74(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC=C(C=C4)OCC5=NC=CN5C)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations