Geometry & MOs

Info

ID:	137061
PubChem CID:	52147371
Reduced:	SO2F3N6C14H17 (1)
Stoich.:	AB2C3D6E14F17 (1)
Weight, g/mol:	357.131112
ΔH_f, kcal/mol:	-159.79
Dipole, Da:	9.55
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-fluorophenyl)ethylamino]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1CSC2=NN=C(N2C)C(F)(F)F)N(C)C

DOS

IR

Vibrations