Geometry & MOs

Info

ID:	404455
PubChem CID:	135066409
Reduced:	NSO5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-150.57
Dipole, Da:	5.93
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H]([C@@H]2OC)O)COCC3=CC=CC=C3

DOS

IR

Vibrations