Geometry & MOs

Info

ID:	59350
PubChem CID:	24824148
Reduced:	ClO3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	408.126755
ΔH_f, kcal/mol:	-97.22
Dipole, Da:	4.45
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[[(4-fluorophenyl)methylamino]-hydroxymethylidene]-3-methyl-2-(4-methyl-1-oxo-1,4-thiazinan-3-yl)pyrimidine-4,5-dione

Drug info:

PubChemData

Smile

C/C=C/[C@H]1C/C=C\C[C@H]([C@H](O1)COCC2=CC=C(C=C2)OC)Cl

DOS

IR

Vibrations