Geometry & MOs

Info

ID:	156590
PubChem CID:	56371259
Reduced:	S2N5O5C19H23 (1)
Stoich.:	A2B5C5D19E23 (1)
Weight, g/mol:	417.162332
ΔH_f, kcal/mol:	-74.76
Dipole, Da:	12.95
IP(EA), eV:	-9.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylbenzimidazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CS(=O)(=O)CCCC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations