Geometry & MOs

Info

ID:	123455
PubChem CID:	50848575
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-28.37
Dipole, Da:	8.07
IP(EA), eV:	-8.6(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(3-methoxyphenyl)-4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl]-N-propan-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CSC3=C2NC(=NC3=O)N4CCC(CC4)C(=O)N5CCCC5

DOS

IR

Vibrations