Geometry & MOs

Info

ID:	38976
PubChem CID:	8138279
Reduced:	ClSN3O3H10C17 (1)
Stoich.:	ABC3D3E10F17 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	20.16
Dipole, Da:	1.33
IP(EA), eV:	-9.53(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations