Geometry & MOs

Info

ID:	32158
PubChem CID:	4266416
Reduced:	NSO5H9C10 (1)
Stoich.:	ABC5D9E10 (1)
Weight, g/mol:	497.177313
ΔH_f, kcal/mol:	-186.13
Dipole, Da:	8.39
IP(EA), eV:	-10.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetyl-2-[[4-(dimethylamino)phenyl]methylidene]-5-(2-methoxynaphthalen-1-yl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)C2=CC=C(C=C2)S(=O)(=O)O

DOS

IR

Vibrations