Geometry & MOs

Info

ID:	315808
PubChem CID:	126628899
Reduced:	ClFNO2C15H17 (1)
Stoich.:	ABCD2E15F17 (1)
Weight, g/mol:	567.224671
ΔH_f, kcal/mol:	-130.17
Dipole, Da:	2.08
IP(EA), eV:	-9.26(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-1-[2-[(3S)-3-[(6-methylpyridin-2-yl)carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H](N[C@@H]2C1)C(=O)OCC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations