Geometry & MOs

Info

ID:	38886
PubChem CID:	8138109
Reduced:	ClSO2N3H8C10 (1)
Stoich.:	ABC2D3E8F10 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	1.32
IP(EA), eV:	-9.1(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations