Geometry & MOs

Info

ID:	332656
PubChem CID:	127250942
Reduced:	O3N5C22H27 (1)
Stoich.:	A3B5C22D27 (1)
Weight, g/mol:	417.127089
ΔH_f, kcal/mol:	-1.55
Dipole, Da:	4.59
IP(EA), eV:	-8.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-3-[4-[1-[(4-fluorophenyl)methylsulfonyl]pyrrolidin-3-yl]pyrimidin-5-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)COC)CN2CCC(C2)C3=NC=NC=C3C4=NOC(=N4)C

DOS

IR

Vibrations