Geometry & MOs

Info

ID:	311360
PubChem CID:	126591041
Reduced:	ClSN2O3C9H12 (2)
Stoich.:	ABC2D3E9F12 (2)
Weight, g/mol:	170.105528
ΔH_f, kcal/mol:	-203.71
Dipole, Da:	5.77
IP(EA), eV:	-9.86(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-methylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=NC=C(C=C1)Cl)OCC[C@H]([C@H](C2=NC=C(C=C2)Cl)OC)S(=O)(=O)N)S(=O)(=O)N

DOS

IR

Vibrations