Geometry & MOs

Info

ID:	160531
PubChem CID:	57352489
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	570.260211
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	3.76
IP(EA), eV:	-8.22(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CC(CC3=C(C=CC=C3OC)C=NO)O

DOS

IR

Vibrations