Geometry & MOs

Info

ID:	160553
PubChem CID:	57389024
Reduced:	SN3O4C27H33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	489.182375
ΔH_f, kcal/mol:	-81.72
Dipole, Da:	7.22
IP(EA), eV:	-9.03(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-fluoro-4-[(4-fluorophenyl)methylcarbamoyl]-5,6-dioxo-3,7-diazatricyclo[7.2.2.02,7]tridec-2-en-1-yl]-N',N'-dimethyloxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=NOC(=C2COC3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)C(=O)O)C6CC6

DOS

IR

Vibrations