Geometry & MOs

Info

ID:	121258
PubChem CID:	50760551
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	514.119002
ΔH_f, kcal/mol:	-11.37
Dipole, Da:	4.2
IP(EA), eV:	-9.12(-0.73)
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-(5-chloro-2,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=NC(=O)C2=CC=CC=C2)N3CCN(CC3)C=O

DOS

IR

Vibrations