Geometry & MOs

Info

ID:	137062
PubChem CID:	52147704
Reduced:	FOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	2.84
IP(EA), eV:	-8.28(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(3-pyrazol-1-ylpropylamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1NCCC3=CC=C(C=C3)F)SC4=C2CCCC4

DOS

IR

Vibrations