Geometry & MOs

Info

ID:

334401

PubChem CID:

127252953

Reduced:

O3N5H13C14 (1)

Stoich.:

A3B5C13D14 (1)

Weight, g/mol:

531.284555

ΔHf, kcal/mol:

-31.38

Dipole, Da:

5.76

IP(EA), eV:

 -9.16(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-7-nitro-18-oxo-11,19-diazapentacyclo[11.7.1.02,11.05,10.014,19]henicosa-5(10),6,8,14,16-pentaene-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CC(=O)NC3=CC=NN3

DOS

IR

Vibrations