Geometry & MOs

Info

ID:

334961

PubChem CID:

127253767

Reduced:

NO2H12C13 (2)

Stoich.:

AB2C12D13 (2)

Weight, g/mol:

542.25292

ΔHf, kcal/mol:

-91.72

Dipole, Da:

4.35

IP(EA), eV:

 -8.14(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[1-(4-methoxyphenyl)-2-methylpropyl]-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

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCCC4=CN(C5=CC=CC=C54)C)C

DOS

IR

Vibrations