Geometry & MOs

Info

ID:	38928
PubChem CID:	8138177
Reduced:	ClSO2N3C14H14 (1)
Stoich.:	ABC2D3E14F14 (1)
Weight, g/mol:	320.057926
ΔH_f, kcal/mol:	-23.29
Dipole, Da:	2.28
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-nitrophenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations