Geometry & MOs

Info

ID:

187355

PubChem CID:

77562632

Reduced:

ClO4N5H28C29 (1)

Stoich.:

AB4C5D28E29 (1)

Weight, g/mol:

673.329791

ΔHf, kcal/mol:

-65.59

Dipole, Da:

8.03

IP(EA), eV:

 -8.56(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-cyclohexyl-N-(dimethylsulfamoyl)-17-methoxy-3-(3-methyl-3,9-diazabicyclo[4.2.1]nonane-9-carbonyl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),5,7,9,13,15,17-heptaene-9-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C(=C3C4=C(C=C(C=C4)Cl)NC3=O)NC5=CC=C(C=C5)C(=O)N(C)CCN(C)C)OC1=O

DOS

IR

Vibrations