Geometry & MOs

Info

ID:

415570

PubChem CID:

135088566

Reduced:

N3O3C20H27 (1)

Stoich.:

A3B3C20D27 (1)

Weight, g/mol:

573.263899

ΔHf, kcal/mol:

-84.96

Dipole, Da:

6.15

IP(EA), eV:

 -9.31(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-7-fluoro-23-methoxy-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

C1C[C@]2(COCC[C@@H]2N(C1)C(=O)CCC3=NC=CN=C3)C4=CCOCC4

DOS

IR

Vibrations