Geometry & MOs

Info

ID:	173478
PubChem CID:	75643002
Reduced:	ClO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	335.049526
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	5.14
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-3-[2-(thiophene-2-carbonyl)hydrazinyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)Cl)NNC(=O)C2=CC=NC=C2

DOS

IR

Vibrations