Geometry & MOs

Info

ID:	73156
PubChem CID:	48417110
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	401.01235
ΔH_f, kcal/mol:	17.02
Dipole, Da:	5.87
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)C(=O)C3=CC=CS3

DOS

IR

Vibrations