Geometry & MOs

Info

ID:	242844
PubChem CID:	99213350
Reduced:	FSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	434.167557
ΔH_f, kcal/mol:	-168.51
Dipole, Da:	4.71
IP(EA), eV:	-8.4(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[4-(3-fluorophenyl)oxan-4-yl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations