Geometry & MOs

Info

ID:	121260
PubChem CID:	50760667
Reduced:	ClSO2N6H19C21 (1)
Stoich.:	ABC2D6E19F21 (1)
Weight, g/mol:	476.199445
ΔH_f, kcal/mol:	61.34
Dipole, Da:	3.46
IP(EA), eV:	-8.78(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpyrazol-1-yl]-N-(4-phenylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N(N=C3SC)CC(=O)NC4=CC(=CC=C4)Cl)N

DOS

IR

Vibrations