Geometry & MOs

Info

ID:

187331

PubChem CID:

77560303

Reduced:

NSO6H19C21 (1)

Stoich.:

ABC6D19E21 (1)

Weight, g/mol:

648.298156

ΔHf, kcal/mol:

-151.0

Dipole, Da:

5.45

IP(EA), eV:

 -9.93(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[14-cyclohexyl-9-(2,2-dimethylpropylsulfonylcarbamoyl)-17-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),5,7,9,13,15,17-heptaen-3-yl]-N',N'-dimethyloxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C=CC2C=CC(C=C2O)(NS(=O)(=O)C3=CC=C(C=C3)O)O

DOS

IR

Vibrations