Geometry & MOs

Info

ID:

311687

PubChem CID:

126596873

Reduced:

N4O5C25H30 (1)

Stoich.:

A4B5C25D30 (1)

Weight, g/mol:

531.284555

ΔHf, kcal/mol:

-184.48

Dipole, Da:

5.62

IP(EA), eV:

 -9.37(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-10-methyl-14-[4-(1-methylpiperidin-2-yl)-6-oxo-2,3-dihydropyridin-1-yl]-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1/C=C\C[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations