Geometry & MOs

Info

ID:	139862
PubChem CID:	52609539
Reduced:	F2N2O5C23H28 (1)
Stoich.:	A2B2C5D23E28 (1)
Weight, g/mol:	464.228677
ΔH_f, kcal/mol:	-293.08
Dipole, Da:	2.03
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(adamantane-1-carbonyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=CC=C1)OC(F)F)NC(=O)[C@H](C(C)C)NC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations