Geometry & MOs

Info

ID:	121259
PubChem CID:	50760651
Reduced:	ClSO4N6C23H23 (1)
Stoich.:	ABC4D6E23F23 (1)
Weight, g/mol:	454.097873
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	7.67
IP(EA), eV:	-8.57(-0.61)
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-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(N(N=C3SC)CC(=O)NC4=CC(=C(C=C4OC)OC)Cl)N

DOS

IR

Vibrations