Geometry & MOs

Info

ID:	68378
PubChem CID:	46508301
Reduced:	SN2O4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-130.83
Dipole, Da:	1.96
IP(EA), eV:	-8.67(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(methoxymethyl)-4-methylquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCN(C)C(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations