Geometry & MOs

Info

ID:	442028
PubChem CID:	135248119
Reduced:	SO2N6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	491.199111
ΔH_f, kcal/mol:	24.57
Dipole, Da:	3.08
IP(EA), eV:	-8.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-cyanophenyl)methyl]-4-oxo-N-(3-oxohexyl)-2-piperidin-1-ylthieno[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1C#N)C(=O)C2=C(C(=CS2)C(=O)NCC3CC3)N=CN4CCC[C@H](C4)N

DOS

IR

Vibrations