Geometry & MOs

Info

ID:	138568
PubChem CID:	52385314
Reduced:	NO5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	215.079373
ΔH_f, kcal/mol:	-216.48
Dipole, Da:	1.6
IP(EA), eV:	-10.46(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,9aS)-9-hydroxy-3,3-dimethyl-7,8,9,9a-tetrahydropyrrolo[2,1-b][1,5,3]dioxazepine-2,5-dione

Drug info:

PubChemData

Smile

CC1(C(=O)O[C@@H]2[C@H](CCN2C(=O)O1)O)C

DOS

IR

Vibrations