Geometry & MOs

Info

ID:

415165

PubChem CID:

135088156

Reduced:

O3N4C17H26 (1)

Stoich.:

A3B4C17D26 (1)

Weight, g/mol:

565.270047

ΔHf, kcal/mol:

-122.18

Dipole, Da:

4.8

IP(EA), eV:

 -8.87(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-(2-ethylimidazol-1-yl)propanoyl]-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

CC1=CC(=NC(=N1)C)C(=O)N[C@@]2(CCOC3([C@H]2O)CCNCC3)C

DOS

IR

Vibrations