Geometry & MOs

Info

ID:	65229
PubChem CID:	29204642
Reduced:	N2F3O5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	482.08412
ΔH_f, kcal/mol:	-293.29
Dipole, Da:	7.4
IP(EA), eV:	-9.27(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(1H-indol-3-yl)ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations