Geometry & MOs

Info

ID:	25804
PubChem CID:	630972
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	340.203845
ΔH_f, kcal/mol:	-63.32
Dipole, Da:	3.19
IP(EA), eV:	-9.03(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-13-methylspiro[7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3

DOS

IR

Vibrations