Geometry & MOs

Info

ID:	243068
PubChem CID:	99215369
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	433.112999
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	4.78
IP(EA), eV:	-8.71(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)NNC(=O)C2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations