Geometry & MOs

Info

ID:	152949
PubChem CID:	56312048
Reduced:	O3N4C22H32 (1)
Stoich.:	A3B4C22D32 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	2.94
IP(EA), eV:	-9.22(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 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)CC(=O)NC(=O)NC3CCCCC3

DOS

IR

Vibrations