Geometry & MOs

Info

ID:	35089
PubChem CID:	7979293
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	370.95754
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	3.75
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations