Geometry & MOs

Info

ID:	174858
PubChem CID:	75823307
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	309.026465
ΔH_f, kcal/mol:	-145.75
Dipole, Da:	8.08
IP(EA), eV:	-8.64(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-(3-chloro-4-fluorophenyl)ethylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)NC(C)CC

DOS

IR

Vibrations