Geometry & MOs

Info

ID:	194610
PubChem CID:	78561561
Reduced:	ON3C25H35 (1)
Stoich.:	AB3C25D35 (1)
Weight, g/mol:	401.086784
ΔH_f, kcal/mol:	12.54
Dipole, Da:	2.27
IP(EA), eV:	-8.83(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC=CC3=CC=CC=C3

DOS

IR

Vibrations