Geometry & MOs

Info

ID:	328821
PubChem CID:	126728311
Reduced:	N2O3H6C9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	477.183461
ΔH_f, kcal/mol:	2.91
Dipole, Da:	2.29
IP(EA), eV:	-9.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=C(OC2=O)N=O

DOS

IR

Vibrations