Geometry & MOs

Info

ID:	61823
PubChem CID:	26713527
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	406.084341
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	2.72
IP(EA), eV:	-9.04(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1,3-dithiolan-2-yl)benzoyl]-5-methyl-4-propylthiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCC1=C(SC(=C1)C(=O)NNC(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC)OC)C

DOS

IR

Vibrations