Geometry & MOs

Info

ID:	83346
PubChem CID:	49857475
Reduced:	SO4N5H29C30 (1)
Stoich.:	AB4C5D29E30 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	5.48
IP(EA), eV:	-8.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,11cS)-9,10-dimethoxy-4,4,11c-trimethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-b][1]benzofuran-8-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)NC2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations