Geometry & MOs

Info

ID:	127745
PubChem CID:	51013537
Reduced:	NS2C12O15H17 (1)
Stoich.:	AB2C12D15E17 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-591.97
Dipole, Da:	2.54
IP(EA), eV:	-10.52(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@H]([C@H]([C@@H](O1)O2)NS(=O)(=O)O)O)O[C@@H]3[C@@H]([C@@H](C=C(O3)C(=O)O)O)OS(=O)(=O)O

DOS

IR

Vibrations