Geometry & MOs

Info

ID:	447287
PubChem CID:	135281778
Reduced:	FN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	474.243104
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	4.25
IP(EA), eV:	-9.02(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-N-[5-[(3S)-3-amino-3-cyclopropyl-3-pyridin-2-ylpropyl]-2-fluorophenyl]-4-hydroxy-4-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C=CC(=C1)CC[C@@H](C2CC2)N)F

DOS

IR

Vibrations