Geometry & MOs

Info

ID:	341766
PubChem CID:	127264459
Reduced:	SN2O5H22C25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	248.129156
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	3.19
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,4S,5S)-5-amino-2-azabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CC1=NOC(=C1N(C2=CC=CC=C2)S(=O)(=O)C)C3=CC=C(C=C3)C4=CC=C(C=C4)CC(=O)O

DOS

IR

Vibrations