Geometry & MOs

Info

ID:

334417

PubChem CID:

127252969

Reduced:

ClN2O6H25C26 (1)

Stoich.:

AB2C6D25E26 (1)

Weight, g/mol:

500.20597

ΔHf, kcal/mol:

-181.59

Dipole, Da:

9.67

IP(EA), eV:

 -9.04(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-[2-(4-hydroxyphenyl)ethyl]-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)NC4CCC5=CC=CC=C5NC4=O

DOS

IR

Vibrations