Geometry & MOs

Info

ID:	247962
PubChem CID:	103077771
Reduced:	BrClFSN2O3C10H13 (1)
Stoich.:	ABCDE2F3G10H13 (1)
Weight, g/mol:	399.96593
ΔH_f, kcal/mol:	-153.17
Dipole, Da:	3.53
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonyl-4-methylpiperidin-3-ol

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=CC(=C(C(=C1F)N)Br)Cl)OC

DOS

IR

Vibrations