Geometry & MOs

Info

ID:	165272
PubChem CID:	74524675
Reduced:	SO3N4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	469.151195
ΔH_f, kcal/mol:	-2.74
Dipole, Da:	2.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.077170
Charge, e:	1

Chem-info

IUPAC name:

2-cyano-3-[2-(4-methoxyphenoxy)-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]-N-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OC2=C(C(=O)[NH+]3C=CC=CC3=N2)C=C4C(=O)N=C(S4)N5CCCCC5

DOS

IR

Vibrations