Geometry & MOs

Info

ID:	35105
PubChem CID:	7979319
Reduced:	SN2O3H14C15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	308.028935
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	3.98
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-oxo-4-thiophen-2-ylbutanoyl)thiophene-2-carbohydrazide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations