Geometry & MOs

Info

ID:	243065
PubChem CID:	99215356
Reduced:	S2N3O4C21H25 (1)
Stoich.:	A2B3C4D21E25 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-112.39
Dipole, Da:	6.62
IP(EA), eV:	-8.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-2-yl]-1-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)S(=O)(=O)N2CCCC[C@@H]2C3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations