Geometry & MOs

Info

ID:

422567

PubChem CID:

135118050

Reduced:

N3O3C18H25 (1)

Stoich.:

A3B3C18D25 (1)

Weight, g/mol:

603.249312

ΔHf, kcal/mol:

-104.58

Dipole, Da:

4.86

IP(EA), eV:

 -9.25(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[3-(2-oxo-3H-benzimidazol-1-yl)propanoyl]-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CNCC1CCN(CC1)C(=O)[C@@H]2[C@H](NC(=O)CO2)C3=CC=CC=C3

DOS

IR

Vibrations