Geometry & MOs

Info

ID:	311488
PubChem CID:	126592957
Reduced:	BrFSN4O6C18H24 (1)
Stoich.:	ABCD4E6F18G24 (1)
Weight, g/mol:	657.02478
ΔH_f, kcal/mol:	-236.64
Dipole, Da:	5.54
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2Z)-2-(3-bromo-4-fluoroanilino)-2-iodoiminoacetyl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NS(=O)(=O)N1CCC(CC1)C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO

DOS

IR

Vibrations