Geometry & MOs

Info

ID:	81952
PubChem CID:	49855395
Reduced:	SO4N5C21H21 (1)
Stoich.:	AB4C5D21E21 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	8.55
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5R)-6-(isoquinolin-1-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

CN(C1[C@H]2[C@@H]1CN(C2)C3=NC=C(C=N3)C(=O)NO)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations