Geometry & MOs

Info

ID:	342971
PubChem CID:	127266134
Reduced:	FSN2O2C16H23 (1)
Stoich.:	ABC2D2E16F23 (1)
Weight, g/mol:	341.157326
ΔH_f, kcal/mol:	-113.91
Dipole, Da:	4.44
IP(EA), eV:	-8.43(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-fluorophenyl)-3-[[(1R,2S,3R)-3-ethoxy-2-methylsulfanylcyclobutyl]amino]propanamide

Drug info:

PubChemData

Smile

CCO[C@@H]1C[C@H]([C@@H]1SC)NCCC(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations