Geometry & MOs

Info

ID:	28726
PubChem CID:	829198
Reduced:	N3O5H9C13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	287.05422
ΔH_f, kcal/mol:	-157.91
Dipole, Da:	6.23
IP(EA), eV:	-9.89(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-1,9-dihydroxy-4,6,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),10,12,14-tetraene-3,5,16-trione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)[C@@]3([C@@]2(NC4=C3C(=O)NC(=O)N4)O)O

DOS

IR

Vibrations