Geometry & MOs

Info

ID:	247891
PubChem CID:	103077299
Reduced:	BrClFSN3O3C11H12 (1)
Stoich.:	ABCDE3F3G11H12 (1)
Weight, g/mol:	399.96593
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	7.06
IP(EA), eV:	-9.52(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1CC1NC(=O)CNS(=O)(=O)C2=CC(=C(C(=C2F)N)Br)Cl

DOS

IR

Vibrations