Geometry & MOs

Info

ID:	245029
PubChem CID:	99432175
Reduced:	ClN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-100.55
Dipole, Da:	3.47
IP(EA), eV:	-7.98(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[4-(oxan-4-ylamino)phenyl]benzamide

Drug info:

PubChemData

Smile

C1COCCC1NC2=CC=C(C=C2)NC(=O)CCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations