Geometry & MOs

Info

ID:	49612
PubChem CID:	11533359
Reduced:	O2F3N5C25H38 (1)
Stoich.:	A2B3C5D25E38 (1)
Weight, g/mol:	497.16608
ΔH_f, kcal/mol:	-239.86
Dipole, Da:	3.02
IP(EA), eV:	-8.99(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzothiophen-3-yl)-2-ethoxycarbonyl-N-methyl-6-(3-phenylpropoxy)inden-1-imine oxide

Drug info:

PubChemData

Smile

CCC1COCCC1N[C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F

DOS

IR

Vibrations