Geometry & MOs

Info

ID:

334131

PubChem CID:

127252683

Reduced:

ClNO4H12C13 (2)

Stoich.:

ABC4D12E13 (2)

Weight, g/mol:

572.263485

ΔHf, kcal/mol:

-276.36

Dipole, Da:

5.95

IP(EA), eV:

 -8.96(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[1-(3,4-dimethoxyphenyl)-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

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC(=C(C=C4)Cl)C(=O)NCCC(=O)O

DOS

IR

Vibrations