Geometry & MOs

Info

ID:	404454
PubChem CID:	135066408
Reduced:	FNS2O3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	377.129694
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	3.87
IP(EA), eV:	-8.09(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R)-2-methoxy-1-(4-methylphenyl)sulfonyl-4-(phenylmethoxymethyl)azetidin-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@H](C1=CC=CC=C1)[C@@H](F)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations