Geometry & MOs

Info

ID:

160696

PubChem CID:

57389460

Reduced:

ClON6H23C25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

556.244561

ΔHf, kcal/mol:

92.9

Dipole, Da:

5.62

IP(EA), eV:

 -9.0(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-(dimethylamino)-2-oxoacetyl]amino]-4-N-[(4-fluoro-3-methylphenyl)methyl]-9-N,9-N-dimethyl-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-ene-4,9-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CC=N2)C(=O)N3C[C@H]4[C@@H]3CN(CC4)C5=CN=C6C=CC(=CC6=N5)Cl

DOS

IR

Vibrations