Geometry & MOs

Info

ID:	328869
PubChem CID:	126728439
Reduced:	FSO2N5C22H26 (1)
Stoich.:	ABC2D5E22F26 (1)
Weight, g/mol:	493.194774
ΔH_f, kcal/mol:	-71.77
Dipole, Da:	2.21
IP(EA), eV:	-9.07(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[[4-[[(6-fluoronaphthalen-2-yl)methylamino]methyl]cyclohexyl]amino]pyrimidin-4-yl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CC(CCC1NCCC2=CC=C(C=C2)F)NC3NC(=CC=N3)/C=C\4/C(=O)NC(=O)S4

DOS

IR

Vibrations