Geometry & MOs

Info

ID:	332651
PubChem CID:	127250937
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	365.185175
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	4.33
IP(EA), eV:	-9.88(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-3-yl]pyrimidin-5-yl]-5-methyl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(C2)C3=NC=NC=C3C4=NOC(=N4)C)F

DOS

IR

Vibrations