Geometry & MOs

Info

ID:	173751
PubChem CID:	75678841
Reduced:	N2O5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	-167.44
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760758
Charge, e:	0

Chem-info

IUPAC name:

2-[6,9,11,11-tetramethyl-2-oxo-3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]propanedinitrile

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)NC(=O)C(C2[O-])C(=O)NCCCC3=CC=CC=C3

DOS

IR

Vibrations