Geometry & MOs

Info

ID:

421238

PubChem CID:

135115634

Reduced:

N2O3C21H32 (1)

Stoich.:

A2B3C21D32 (1)

Weight, g/mol:

608.337399

ΔHf, kcal/mol:

-127.58

Dipole, Da:

3.82

IP(EA), eV:

 -8.59(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-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

CO[C@@H]1CCC[C@@]12CCCN(C2)CC(=O)NCCC3=CC=C(C=C3)OC

DOS

IR

Vibrations