Geometry & MOs

Info

ID:	298586
PubChem CID:	117651468
Reduced:	ClSN2F4O5H13C17 (1)
Stoich.:	ABC2D4E5F13G17 (1)
Weight, g/mol:	474.09401
ΔH_f, kcal/mol:	-340.16
Dipole, Da:	4.19
IP(EA), eV:	-9.74(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-chloro-6-(4-ethylpiperazin-1-yl)pyridin-3-yl]oxy-2,5-difluoro-N-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(=O)C1=CC(=C(C=C1F)OC2=CC(=C(N=C2)C3CC3)OC(F)(F)F)Cl

DOS

IR

Vibrations