Geometry & MOs

Info

ID:	152731
PubChem CID:	56311790
Reduced:	ClSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	482.198777
ΔH_f, kcal/mol:	-13.29
Dipole, Da:	5.57
IP(EA), eV:	-8.96(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC4=C(C(=CS4)C5=CC=CC=C5Cl)C(=O)N3

DOS

IR

Vibrations