Geometry & MOs

Info

ID:	161345
PubChem CID:	57391396
Reduced:	SO2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	540.159804
ΔH_f, kcal/mol:	34.7
Dipole, Da:	10.93
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-[6-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]benzimidazol-1-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=NS(=O)(=O)C5=CC=CC=C5N4

DOS

IR

Vibrations