Geometry & MOs

Info

ID:	218074
PubChem CID:	85088822
Reduced:	ClN3O8H16C17 (1)
Stoich.:	AB3C8D16E17 (1)
Weight, g/mol:	424.972933
ΔH_f, kcal/mol:	-178.46
Dipole, Da:	2.56
IP(EA), eV:	-9.52(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-3-(1,3-thiazol-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)N=C(N2C3C(C(C(C(O3)CO)O)O)O)C4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations