Geometry & MOs

Info

ID:	61590
PubChem CID:	26710801
Reduced:	OS2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	402.027889
ΔH_f, kcal/mol:	49.37
Dipole, Da:	3.74
IP(EA), eV:	-8.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2N1CC(=O)NCC3=CC=C(S3)C4=CSC(=N4)C

DOS

IR

Vibrations