Geometry & MOs

Info

ID:	289513
PubChem CID:	104359281
Reduced:	BrClSN2O4C12H14 (1)
Stoich.:	ABCD2E4F12G14 (1)
Weight, g/mol:	324.9869
ΔH_f, kcal/mol:	-141.63
Dipole, Da:	1.82
IP(EA), eV:	-9.8(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol

Drug info:

PubChemData

Smile

C1COCC1CNC(=O)C2=C(C(=CC(=C2)S(=O)(=O)N)Br)Cl

DOS

IR

Vibrations