Geometry & MOs

Info

ID:	214653
PubChem CID:	85083352
Reduced:	OPN2F6C29H31 (1)
Stoich.:	ABC2D6E29F31 (1)
Weight, g/mol:	568.199171
ΔH_f, kcal/mol:	-346.91
Dipole, Da:	3.93
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methylsulfonyl(phenyl)methyl]-4-morpholin-4-yl-4-oxo-N-[1-oxo-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1)OP2N(C(C(N2C)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F)C

DOS

IR

Vibrations