Geometry & MOs

Info

ID:	442021
PubChem CID:	135248029
Reduced:	SO2N6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	478.17871
ΔH_f, kcal/mol:	19.27
Dipole, Da:	8.66
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-4-oxo-N-(2-oxobutyl)thieno[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CSC3=C2N=C(N(C3=O)CC4=CC=CC=C4C#N)N5CCCCC5

DOS

IR

Vibrations