Geometry & MOs

Info

ID:

423562

PubChem CID:

135119744

Reduced:

O3N4C19H24 (1)

Stoich.:

A3B4C19D24 (1)

Weight, g/mol:

543.20486

ΔHf, kcal/mol:

-76.71

Dipole, Da:

3.2

IP(EA), eV:

 -9.74(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-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

CCCN1C(=CC=N1)C(=O)N2CC[C@H]([C@@H](C2)O)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations