Geometry & MOs

Info

ID:	35087
PubChem CID:	7979291
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-43.92
Dipole, Da:	4.56
IP(EA), eV:	-9.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(2,5-dimethylphenoxy)propanoyl]thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=C(C=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations