Geometry & MOs

Info

ID:	30194
PubChem CID:	840564
Reduced:	Cl2N2O3H10C14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-58.56
Dipole, Da:	6.06
IP(EA), eV:	-8.7(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methylanilino)-N-[(5-nitrothiophen-2-yl)methylideneamino]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations