Geometry & MOs

Info

ID:	69374
PubChem CID:	46530883
Reduced:	ClOSN3C23H26 (1)
Stoich.:	ABCD3E23F26 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	4.49
IP(EA), eV:	-8.88(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C(=C(S2)C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl)C)C

DOS

IR

Vibrations