Geometry & MOs

Info

ID:	123305
PubChem CID:	50841764
Reduced:	SO3N5C25H33 (1)
Stoich.:	AB3C5D25E33 (1)
Weight, g/mol:	396.044775
ΔH_f, kcal/mol:	-94.57
Dipole, Da:	7.1
IP(EA), eV:	-9.02(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CCC3=CC=CC=C3)SCCC(=O)NC4CCCCCC4

DOS

IR

Vibrations