Geometry & MOs

Info

ID:	396511
PubChem CID:	135028606
Reduced:	NO5C28H29 (1)
Stoich.:	AB5C28D29 (1)
Weight, g/mol:	249.086189
ΔH_f, kcal/mol:	-160.79
Dipole, Da:	3.5
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,12S,13R)-7-amino-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3,5,7,9-tetraene-11,13-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]([C@@H](C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations