Geometry & MOs

Info

ID:	242843
PubChem CID:	99213349
Reduced:	FNO4C23H24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	434.167557
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	3.03
IP(EA), eV:	-9.76(-0.9)
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]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2(CCOCC2)C3=CC(=CC=C3)F

DOS

IR

Vibrations