Geometry & MOs

Info

ID:

190786

PubChem CID:

78056906

Reduced:

ClFO4N6H30C31 (1)

Stoich.:

ABC4D6E30F31 (1)

Weight, g/mol:

604.211343

ΔHf, kcal/mol:

-124.79

Dipole, Da:

2.25

IP(EA), eV:

 -9.08(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-chloro-2-fluorophenyl)-5-methyl-N-[10-methyl-5-(methylcarbamoylamino)-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-14-yl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)NC(=O)C4=C(N(N=C4)C5=C(C(=CC=C5)Cl)F)C

DOS

IR

Vibrations