Geometry & MOs

Info

ID:	328861
PubChem CID:	126728393
Reduced:	SN2O3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	475.204196
ΔH_f, kcal/mol:	-7.17
Dipole, Da:	2.61
IP(EA), eV:	-8.73(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-hydroxy-5-[[2-[[4-[(naphthalen-1-ylmethylamino)methyl]cyclohexyl]amino]pyrimidin-4-yl]methylidene]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CC1=NCC=C(N1)C2=CC=C(S2)C3=C(C(=O)C3=O)O

DOS

IR

Vibrations