Geometry & MOs

Info

ID:	84278
PubChem CID:	49865214
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	549.220989
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	6.27
IP(EA), eV:	-9.34(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[5-[(4-fluorophenyl)methyl]-3H-1,3-thiazol-2-ylidene]-7-morpholin-4-yl-9-(1-piperidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3,4-dione

Drug info:

PubChemData

Smile

CCCN(CCC)C1=C(C=C(C=C1C#N)S(=O)(=O)N)C#N

DOS

IR

Vibrations