Geometry & MOs

Info

ID:

379552

PubChem CID:

134444317

Reduced:

O4N5C18H21 (1)

Stoich.:

A4B5C18D21 (1)

Weight, g/mol:

647.15435

ΔHf, kcal/mol:

-88.34

Dipole, Da:

2.64

IP(EA), eV:

 -9.2(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(10R,14S)-14-[4-(6-bromo-3-ethyl-2-fluorophenyl)-6-oxopyridazin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

C1CC2(CCC13OCCO3)OCC(O2)C4=CN=C(N=C4)NC5=NC=CC=N5

DOS

IR

Vibrations