Geometry & MOs

Info

ID:	189990
PubChem CID:	77937097
Reduced:	ClPN3O10C26H29 (1)
Stoich.:	ABC3D10E26F29 (1)
Weight, g/mol:	408.99348
ΔH_f, kcal/mol:	-434.63
Dipole, Da:	4.09
IP(EA), eV:	-9.37(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluoro-4-iodoanilino)-4-methoxy-5-nitropiperidin-2-one

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C3(CCO3)C(C(O2)COP(=O)(NCC(=O)OCC4=CC=CC=C4)OC5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations