Geometry & MOs

Info

ID:	328856
PubChem CID:	126728371
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	6.88
Dipole, Da:	6.47
IP(EA), eV:	-8.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CCN1)C2=CC=C(S2)C3=C(C(=O)C3)O

DOS

IR

Vibrations