Geometry & MOs

Info

ID:	66212
PubChem CID:	46500437
Reduced:	N2O2S2H10C17 (1)
Stoich.:	A2B2C2D10E17 (1)
Weight, g/mol:	300.085855
ΔH_f, kcal/mol:	46.08
Dipole, Da:	3.44
IP(EA), eV:	-8.86(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-nitrophenyl)acetate

Drug info:

PubChemData

Smile

CC1=NN=C(S1)SC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations