Geometry & MOs

Info

ID:	198775
PubChem CID:	79148428
Reduced:	FOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	255.023311
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	1.12
IP(EA), eV:	-8.79(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=C(C=CC(=C1)F)N

DOS

IR

Vibrations