Geometry & MOs

Info

ID:

334724

PubChem CID:

127253399

Reduced:

ClSN3O8C25H26 (1)

Stoich.:

ABC3D8E25F26 (1)

Weight, g/mol:

579.248169

ΔHf, kcal/mol:

-265.33

Dipole, Da:

4.38

IP(EA), eV:

 -8.86(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-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(=CC=C4)N(CC(=O)N)S(=O)(=O)C

DOS

IR

Vibrations