Geometry & MOs

Info

ID:	442023
PubChem CID:	135248043
Reduced:	OSN5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	435.172896
ΔH_f, kcal/mol:	88.45
Dipole, Da:	1.42
IP(EA), eV:	-8.5(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C1C2=C(C=C(S2)C(=O)NC3CC3)N=C(N1CC4=CC=CC=C4C#N)N5CCCCC5

DOS

IR

Vibrations