Geometry & MOs

Info

ID:	268054
PubChem CID:	103597591
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	467.07959
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	4.45
IP(EA), eV:	-8.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-[(3-methylphenyl)methylsulfanyl]pyridin-4-yl]-1,3-thiazol-4-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2=CSC(=N2)C3=CC=NC=C3)OC)O

DOS

IR

Vibrations