Geometry & MOs

Info

ID:	33972
PubChem CID:	7889084
Reduced:	SO2N3H21C23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-9.65
Dipole, Da:	3.04
IP(EA), eV:	-8.95(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N[C@@H](C)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations