Geometry & MOs

Info

ID:

334962

PubChem CID:

127253768

Reduced:

N4O5C31H34 (1)

Stoich.:

A4B5C31D34 (1)

Weight, g/mol:

503.16925

ΔHf, kcal/mol:

-72.3

Dipole, Da:

8.99

IP(EA), eV:

 -9.1(-1.38)

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-pyrimidin-2-yloxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)OC)NC(=O)[C@@H]2CC3=C(C=CC(=C3)[N+](=O)[O-])N4[C@H]2C5CC(C4)C6=CC=CC(=O)N6C5

DOS

IR

Vibrations