Geometry & MOs

Info

ID:	438817
PubChem CID:	135228574
Reduced:	SN4O6C26H29 (1)
Stoich.:	AB4C6D26E29 (1)
Weight, g/mol:	467.162725
ΔH_f, kcal/mol:	-132.13
Dipole, Da:	4.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.178447
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-pyrazol-1-ylthieno[2,3-d]pyrimidin-3-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C(=C2)C)C(=O)C(CC3)(C)C4=CC=C([N+](=O)N4)OC

DOS

IR

Vibrations