Geometry & MOs

Info

ID:	7347
PubChem CID:	72210
Reduced:	IO3N5H8C9 (1)
Stoich.:	AB3C5D8E9 (1)
Weight, g/mol:	360.96719
ΔH_f, kcal/mol:	77.84
Dipole, Da:	9.73
IP(EA), eV:	-9.46(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,10S,11S)-11-azido-4-iodo-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]2COC3=NC(=O)C(=CN3[C@@H]1O2)I)N=[N+]=[N-]

DOS

IR

Vibrations