Geometry & MOs

Info

ID:	152048
PubChem CID:	56310899
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-38.79
Dipole, Da:	1.32
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 5-methyl-2-[[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations