Geometry & MOs

Info

ID:	140513
PubChem CID:	52712677
Reduced:	BrSN3O6H12C14 (1)
Stoich.:	ABC3D6E12F14 (1)
Weight, g/mol:	403.178358
ΔH_f, kcal/mol:	-111.37
Dipole, Da:	6.61
IP(EA), eV:	-9.23(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)N)[N+](=O)[O-])Br

DOS

IR

Vibrations