Geometry & MOs

Info

ID:	169104
PubChem CID:	75065095
Reduced:	PN5O7C11H14 (1)
Stoich.:	AB5C7D11E14 (1)
Weight, g/mol:	319.037525
ΔH_f, kcal/mol:	-289.09
Dipole, Da:	4.33
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-nitrophenyl)methylideneamino]-N-(1,3-thiazol-2-yl)oxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)O

DOS

IR

Vibrations