Geometry & MOs

Info

ID:	331234
PubChem CID:	127248641
Reduced:	SO2N5C24H27 (1)
Stoich.:	AB2C5D24E27 (1)
Weight, g/mol:	441.206385
ΔH_f, kcal/mol:	-9.63
Dipole, Da:	4.09
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-fluorophenoxy)-1-[3-[3-(morpholine-4-carbonyl)pyridin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)N3CCC(C3)C4=C(C=CC=N4)C(=O)NCC(C)C

DOS

IR

Vibrations