Geometry & MOs

Info

ID:	399795
PubChem CID:	135042775
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-52.55
Dipole, Da:	4.41
IP(EA), eV:	-9.74(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S,4R,6S)-3,4-dihydroxy-2-(hydroxymethyl)-1-azabicyclo[4.1.0]heptane-6-carboxylate

Drug info:

PubChemData

Smile

CC\1=CCCC/C1=N\S(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations