Geometry & MOs

Info

ID:	234694
PubChem CID:	92303319
Reduced:	SO2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-3.5
Dipole, Da:	8.05
IP(EA), eV:	-9.03(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aR,9aR,10aR)-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-9,10-diol

Drug info:

PubChemData

Smile

C/C=N\NC1=NC(=O)[C@H](S1)CC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations