Geometry & MOs

Info

ID:	407751
PubChem CID:	135080506
Reduced:	NSO4C9H13 (1)
Stoich.:	ABC4D9E13 (1)
Weight, g/mol:	233.14495
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	6.19
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R)-1-[(R)-tert-butylsulfinyl]-4-propan-2-ylazetidin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[NH2+]CCCOS(=O)(=O)[O-]

DOS

IR

Vibrations