Geometry & MOs

Info

ID:	158049
PubChem CID:	56459439
Reduced:	SO3N6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	433.138619
ΔH_f, kcal/mol:	-77.74
Dipole, Da:	2.71
IP(EA), eV:	-8.55(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-5-methyl-1H-pyrazol-4-yl)-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCCCCC3=N2)C(=O)NC4=C(NN=C4C(=O)N)C

DOS

IR

Vibrations