Geometry & MOs

Info

ID:	137065
PubChem CID:	52148073
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	410.188881
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	3.92
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-yl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=C(N=C1NC3=CC=CC(=C3)C(=O)NC)SC4=C2CCCC4

DOS

IR

Vibrations