Geometry & MOs

Info

ID:	195557
PubChem CID:	78700491
Reduced:	FNO4C24H30 (1)
Stoich.:	ABC4D24E30 (1)
Weight, g/mol:	419.242021
ΔH_f, kcal/mol:	-219.84
Dipole, Da:	5.29
IP(EA), eV:	-8.99(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)OCCOC5=CC=C(C=C5)F

DOS

IR

Vibrations