Geometry & MOs

Info

ID:

160581

PubChem CID:

57389121

Reduced:

ClON7H22C24 (1)

Stoich.:

ABC7D22E24 (1)

Weight, g/mol:

513.182375

ΔHf, kcal/mol:

113.89

Dipole, Da:

5.99

IP(EA), eV:

 -8.83(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-fluoro-4-[(4-fluoro-3-methylphenyl)methylcarbamoyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-1-yl]-5-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3C[C@H]4[C@@H]3CN(CC4)C5=CN=C6C=CC(=CC6=N5)Cl

DOS

IR

Vibrations