Geometry & MOs

Info

ID:	242845
PubChem CID:	99213351
Reduced:	FSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	444.188292
ΔH_f, kcal/mol:	-171.5
Dipole, Da:	7.83
IP(EA), eV:	-9.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NCC1(CCOCC1)C2=CC(=CC=C2)F)NC(=O)C3=CC=CO3

DOS

IR

Vibrations