Geometry & MOs

Info

ID:	330247
PubChem CID:	127247234
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-54.77
Dipole, Da:	2.98
IP(EA), eV:	-8.55(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-[[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(NN=C1)C2CCN(C2)CC3=CC4=CC=CC=C4OC3

DOS

IR

Vibrations