Geometry & MOs

Info

ID:

168779

PubChem CID:

75018190

Reduced:

O5N10C26H38 (1)

Stoich.:

A5B10C26D38 (1)

Weight, g/mol:

453.195151

ΔHf, kcal/mol:

-178.15

Dipole, Da:

6.1

IP(EA), eV:

 -9.41(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl) 3-(4-fluorophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CN=CN2)NC(=O)C

DOS

IR

Vibrations