Geometry & MOs

Info

ID:

187431

PubChem CID:

77571710

Reduced:

FO3N5C20H24 (1)

Stoich.:

AB3C5D20E24 (1)

Weight, g/mol:

647.314141

ΔHf, kcal/mol:

-135.6

Dipole, Da:

9.72

IP(EA), eV:

 -9.15(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-cyclohexyl-9-N-(dimethylsulfamoyl)-17-methoxy-3-N-methyl-3-N-(1-methylpyrrolidin-3-yl)-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),5,7,10,13,15,17-heptaene-3,9-dicarboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)CCNC3CCN(C3)C(=O)O)F

DOS

IR

Vibrations