Geometry & MOs

Info

ID:	422538
PubChem CID:	135118007
Reduced:	NSO4C19H25 (1)
Stoich.:	ABC4D19E25 (1)
Weight, g/mol:	403.141117
ΔH_f, kcal/mol:	-160.65
Dipole, Da:	6.93
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C)OCC1

DOS

IR

Vibrations