Geometry & MOs

Info

ID:	29054
PubChem CID:	831350
Reduced:	N3O4C13H15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	327.092915
ΔH_f, kcal/mol:	-113.21
Dipole, Da:	4.1
IP(EA), eV:	-9.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,7S,8S)-4-(4,6-dimethylpyridin-2-yl)sulfanyl-5-hydroxytricyclo[6.2.1.02,7]undeca-4,9-diene-3,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(CC(=NN1C(=O)C2=CN=CC=C2)C)O

DOS

IR

Vibrations