Geometry & MOs

Info

ID:	173539
PubChem CID:	75649885
Reduced:	S2O4N5H11C16 (1)
Stoich.:	A2B4C5D11E16 (1)
Weight, g/mol:	481.127873
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	2.14
IP(EA), eV:	-9.49(-2.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(5-chloro-2,4-dimethoxyphenyl)-3-[3-[(4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methoxy]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C(=C2C(=O)NC(=S)NC2=O)C3C(NC(=S)NC3=O)O

DOS

IR

Vibrations