Geometry & MOs

Info

ID:	122784
PubChem CID:	50821258
Reduced:	ClS2N3O3C18H18 (1)
Stoich.:	AB2C3D3E18F18 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	4.86
IP(EA), eV:	-9.63(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-3-methyl-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C2=NC(=NO2)C3=CC(=CC=C3)Cl)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations