Geometry & MOs

Info

ID:	68041
PubChem CID:	46507646
Reduced:	SN2O3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	477.071404
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	2.92
IP(EA), eV:	-8.85(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methanol

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=O)C(=C2)C(=S)N)CO

DOS

IR

Vibrations