Geometry & MOs

Info

ID:	181727
PubChem CID:	76784024
Reduced:	ClO2S3N4H9C13 (1)
Stoich.:	AB2C3D4E9F13 (1)
Weight, g/mol:	442.135114
ΔH_f, kcal/mol:	72.82
Dipole, Da:	5.43
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethyl-1,3-thiazol-4-yl)-2-trityloxyiminoacetic acid

Drug info:

PubChemData

Smile

CON=C(C1=C(SC(=N1)N)Cl)C(=O)SC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations