Geometry & MOs

Info

ID:	35091
PubChem CID:	7979295
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-88.28
Dipole, Da:	3.64
IP(EA), eV:	-9.19(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]benzamide

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