Geometry & MOs

Info

ID:	35129
PubChem CID:	7979357
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	306.04967
ΔH_f, kcal/mol:	-86.57
Dipole, Da:	1.68
IP(EA), eV:	-9.19(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(2-methylphenyl)sulfanylacetyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=CC=C3Cl)C4=CC=CC=C4

DOS

IR

Vibrations