Geometry & MOs

Info

ID:	151863
PubChem CID:	56310681
Reduced:	O4N6C25H34 (1)
Stoich.:	A4B6C25D34 (1)
Weight, g/mol:	474.172562
ΔH_f, kcal/mol:	-139.6
Dipole, Da:	2.79
IP(EA), eV:	-8.62(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC)CC

DOS

IR

Vibrations