Geometry & MOs

Info

ID:

417094

PubChem CID:

135091302

Reduced:

N3O3C20H28 (2)

Stoich.:

A3B3C20D28 (2)

Weight, g/mol:

573.238747

ΔHf, kcal/mol:

-277.82

Dipole, Da:

6.88

IP(EA), eV:

 -8.76(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-fluoro-15-[2-(2H-indazol-3-yl)acetyl]-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

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CC=C(C=C4)N5CCCCC5)C(C)C

DOS

IR

Vibrations