Geometry & MOs

Info

ID:	180635
PubChem CID:	76663558
Reduced:	FSO2N5H24C25 (1)
Stoich.:	ABC2D5E24F25 (1)
Weight, g/mol:	489.167554
ΔH_f, kcal/mol:	-17.51
Dipole, Da:	8.44
IP(EA), eV:	-8.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]-4-hydroxypyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=C(C3=C(N=CN=C32)N)C4=CC(=C(C=C4)NS(=O)(=O)C=CC5=CC=CC=C5)F

DOS

IR

Vibrations