Geometry & MOs

Info

ID:	328867
PubChem CID:	126728432
Reduced:	O3F6C30H46 (1)
Stoich.:	A3B6C30D46 (1)
Weight, g/mol:	461.188546
ΔH_f, kcal/mol:	-472.4
Dipole, Da:	8.05
IP(EA), eV:	-10.02(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[2-[[4-(naphthalen-1-ylmethylamino)cyclohexyl]amino]-1,4-dihydropyrimidin-6-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1C2CC(C1CCC3C4CC(C3C(C)(C)C)CC4COCC5CO5)CC2CC(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations