Geometry & MOs

Info

ID:	166269
PubChem CID:	74659440
Reduced:	O2N7C15H15 (1)
Stoich.:	A2B7C15D15 (1)
Weight, g/mol:	461.131723
ΔH_f, kcal/mol:	78.17
Dipole, Da:	11.61
IP(EA), eV:	-9.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[[2-(dipropylamino)-9-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1C(NNC1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)C4=CC=CO4

DOS

IR

Vibrations