Geometry & MOs

Info

ID:	194280
PubChem CID:	78509386
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	423.165034
ΔH_f, kcal/mol:	44.28
Dipole, Da:	1.37
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]sulfanyl-6-methyl-5-(2-methylbutyl)-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations