Geometry & MOs

Info

ID:	68743
PubChem CID:	46509018
Reduced:	SN3O5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	466.146347
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	5.02
IP(EA), eV:	-9.26(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

DOS

IR

Vibrations