Geometry & MOs

Info

ID:	27000
PubChem CID:	810615
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	292.088164
ΔH_f, kcal/mol:	-23.44
Dipole, Da:	4.03
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8bS)-1,3-diethyl-3a,8b-dihydroxy-2-sulfanylideneindeno[1,2-d]imidazol-4-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=COC(=N2)CN(C3CC3)C(=O)CC4=CC=CS4

DOS

IR

Vibrations