Geometry & MOs

Info

ID:	148147
PubChem CID:	53787809
Reduced:	SN2O2C6H14 (1)
Stoich.:	AB2C2D6E14 (1)
Weight, g/mol:	341.220223
ΔH_f, kcal/mol:	-94.3
Dipole, Da:	4.96
IP(EA), eV:	-9.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-3-(3-hydroxynonyl)-6-bicyclo[3.2.0]hept-5-enyl]amino]oxyacetic acid

Drug info:

PubChemData

Smile

CC(CN[C@@H](CS)C(=O)O)N

DOS

IR

Vibrations