Geometry & MOs

Info

ID:	56383
PubChem CID:	17425269
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	388.102768
ΔH_f, kcal/mol:	4.04
Dipole, Da:	6.75
IP(EA), eV:	-8.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(6-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)CC1=CSC(=N1)NC(=O)C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations