Geometry & MOs

Info

ID:	38960
PubChem CID:	8138246
Reduced:	SO3N6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-59.33
Dipole, Da:	3.35
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-oxo-4-phenylbutanoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)OCC3=NC(=NC(=N3)N)N

DOS

IR

Vibrations