Geometry & MOs

Info

ID:	265602
PubChem CID:	103532773
Reduced:	BrClSN2O3C10H12 (1)
Stoich.:	ABCD2E3F10G12 (1)
Weight, g/mol:	309.994569
ΔH_f, kcal/mol:	-86.02
Dipole, Da:	2.21
IP(EA), eV:	-9.82(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-5-(3-methoxypyrrolidin-1-yl)sulfonylpyridine

Drug info:

PubChemData

Smile

COC1CCN(C1)S(=O)(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations