Geometry & MOs

Info

ID:

190787

PubChem CID:

78056907

Reduced:

ClFO3N8C30H30 (1)

Stoich.:

ABC3D8E30F30 (1)

Weight, g/mol:

618.226993

ΔHf, kcal/mol:

-59.83

Dipole, Da:

10.23

IP(EA), eV:

 -9.24(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)NC)NC1=O)NC(=O)C4=C(N(N=N4)C5=C(C(=CC=C5)Cl)F)C

DOS

IR

Vibrations