Geometry & MOs

Info

ID:	158364
PubChem CID:	56463513
Reduced:	ClN3O4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	488.220575
ΔH_f, kcal/mol:	-70.58
Dipole, Da:	6.51
IP(EA), eV:	-8.65(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C/C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)Cl)OC

DOS

IR

Vibrations