Geometry & MOs

Info

ID:	42755
PubChem CID:	8149959
Reduced:	OSN5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	411.209282
ΔH_f, kcal/mol:	7.21
Dipole, Da:	1.82
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-[(2R)-2-methylbutyl]-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)N4CCN(CC4)C5=CC=CC=N5

DOS

IR

Vibrations