Geometry & MOs

Info

ID:	308093
PubChem CID:	125316916
Reduced:	O2N4H12C13 (1)
Stoich.:	A2B4C12D13 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	20.28
Dipole, Da:	4.04
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R,6R,7R)-N-[2-(2H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

C1C=CO[C@H]1/C=N\NC(=O)C2=CC3=C(C=C2)N=CN3

DOS

IR

Vibrations