Geometry & MOs

Info

ID:	328868
PubChem CID:	126728438
Reduced:	SO2N5C25H27 (1)
Stoich.:	AB2C5D25E27 (1)
Weight, g/mol:	443.179124
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	2.24
IP(EA), eV:	-8.81(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NCC2=CC=CC3=CC=CC=C32)NC4=NCC=C(N4)/C=C\5/C(=O)NC(=O)S5

DOS

IR

Vibrations