Geometry & MOs

Info

ID:	138925
PubChem CID:	52444651
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-77.68
Dipole, Da:	2.44
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methoxyphenyl)methyl]-1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)CSC1=NC2=C(C(=O)N1CC3=CC(=CC=C3)OC)SC=C2

DOS

IR

Vibrations