Geometry & MOs

Info

ID:	243064
PubChem CID:	99215354
Reduced:	ClSN2O5H15C19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	447.128649
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	2.25
IP(EA), eV:	-9.03(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[(2R)-1-(2-methyl-5-methylsulfonylphenyl)sulfonylpiperidin-2-yl]benzimidazole

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations