Geometry & MOs

Info

ID:	225974
PubChem CID:	87246514
Reduced:	N3O3H35C41 (1)
Stoich.:	A3B3C35D41 (1)
Weight, g/mol:	298.044585
ΔH_f, kcal/mol:	99.16
Dipole, Da:	3.81
IP(EA), eV:	-8.5(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-propan-2-yl-2-pyridin-3-yl-1,3-thiazol-4-yl) methanesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C\2=CC(=N/C2=N\C3C(=CC(N3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)C7=CC=CC=C7

DOS

IR

Vibrations