Geometry & MOs

Info

ID:	137720
PubChem CID:	52250258
Reduced:	FSN3O4C16H18 (1)
Stoich.:	ABC3D4E16F18 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-70.03
Dipole, Da:	4.19
IP(EA), eV:	-9.18(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)[C@H](CNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C2=CC(=CC=C2)F

DOS

IR

Vibrations