Geometry & MOs

Info

ID:	186652
PubChem CID:	77462064
Reduced:	FO3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	512.162661
ΔH_f, kcal/mol:	-118.69
Dipole, Da:	7.03
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-5-(methoxymethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C=CC(=O)O)OCC2=CC=C(C=C2)F

DOS

IR

Vibrations