Geometry & MOs

Info

ID:	150860
PubChem CID:	53790557
Reduced:	NF3O4C13H14 (1)
Stoich.:	AB3C4D13E14 (1)
Weight, g/mol:	588.248504
ΔH_f, kcal/mol:	-325.9
Dipole, Da:	5.59
IP(EA), eV:	-10.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[2-(1H-imidazol-5-yl)ethenyl]anilino]-[4-[3-(2-oxopiperidin-1-yl)propyl]phenyl]methylidene]-5-nitro-1H-indol-2-one

Drug info:

PubChemData

Smile

CC(=O)OC[C@H](COC(=O)N)C1=CC=CC=C1C(F)(F)F

DOS

IR

Vibrations