Geometry & MOs

Info

ID:	142795
PubChem CID:	53092286
Reduced:	S2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	451.102434
ΔH_f, kcal/mol:	-27.81
Dipole, Da:	3.33
IP(EA), eV:	-8.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]-2-(4-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC(=O)N3C=CSC3=N2)NC(=O)CSC4=CC=CC=C4

DOS

IR

Vibrations