Geometry & MOs

Info

ID:	174661
PubChem CID:	75802882
Reduced:	SO2N3C24H27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	460.169488
ΔH_f, kcal/mol:	-16.7
Dipole, Da:	6.68
IP(EA), eV:	-8.98(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(2,5-dimethylphenoxy)-N-[2-[(9-methyl-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(C2=CC=CC=C2)NC(=O)CCN3C(=O)C4C=CC=CC4=NC3=S

DOS

IR

Vibrations