Geometry & MOs

Info

ID:	420178
PubChem CID:	135111682
Reduced:	ClSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	321.121237
ΔH_f, kcal/mol:	-194.02
Dipole, Da:	6.21
IP(EA), eV:	-9.07(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[(2,6-dimethoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CC(=C2)Cl)OC

DOS

IR

Vibrations