Geometry & MOs

Info

ID:	417714
PubChem CID:	135102539
Reduced:	NSO3C18H27 (1)
Stoich.:	ABC3D18E27 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-141.8
Dipole, Da:	5.27
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(4-methylphenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations