Geometry & MOs

Info

ID:	140757
PubChem CID:	52754446
Reduced:	ClSO3N4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	430.17871
ΔH_f, kcal/mol:	6.33
Dipole, Da:	6.07
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-propyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)-N-(1H-pyrazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CC=NN4

DOS

IR

Vibrations