Geometry & MOs

Info

ID:	247862
PubChem CID:	103077132
Reduced:	SCl2N4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	384.96627
ΔH_f, kcal/mol:	95.91
Dipole, Da:	4.06
IP(EA), eV:	-9.45(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-chloro-6-fluoro-5-(4-methylpiperazin-1-yl)sulfonylaniline

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)SCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations