Geometry & MOs

Info

ID:	67563
PubChem CID:	46506725
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	563.191249
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	7.04
IP(EA), eV:	-8.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-[2-(3,4-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C3CS(=O)(=O)CC3N(C2=O)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations