Geometry & MOs

Info

ID:	43506
PubChem CID:	10321400
Reduced:	SO2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	447.252192
ΔH_f, kcal/mol:	10.44
Dipole, Da:	4.23
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,3aS,8bS)-1-(5-amino-5-iminopentyl)-2-oxo-1,3a,4,8b-tetrahydroindeno[2,1-b]furan-7-yl]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

COC1=NC2=C(C=CN=C2C=C1)NC(=O)C3CCC(CC3)NCC4=CC5=C(C=C4)SC=N5

DOS

IR

Vibrations