Geometry & MOs

Info

ID:	297724
PubChem CID:	117626909
Reduced:	SO3N5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	466.158723
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	4.65
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(3R)-3-aminopiperidin-1-yl]-6-(3-fluoroazetidine-1-carbonyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC3=C(C(=O)N2CC4=CC=CC=C4C#N)SC=C3CO[C@H]5CCOC5)N

DOS

IR

Vibrations