Geometry & MOs

Info

ID:

334195

PubChem CID:

127252747

Reduced:

N3O7C29H33 (1)

Stoich.:

A3B7C29D33 (1)

Weight, g/mol:

509.204967

ΔHf, kcal/mol:

-233.52

Dipole, Da:

7.46

IP(EA), eV:

 -8.84(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC(=O)N2CCCCC2C3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations