Geometry & MOs

Info

ID:

334338

PubChem CID:

127252890

Reduced:

ClN3O9H32C33 (1)

Stoich.:

AB3C9D32E33 (1)

Weight, g/mol:

450.179087

ΔHf, kcal/mol:

-268.87

Dipole, Da:

8.39

IP(EA), eV:

 -8.03(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

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)OC)OCC=C)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations