Geometry & MOs

Info

ID:	325493
PubChem CID:	126683600
Reduced:	FO4N7C23H30 (1)
Stoich.:	AB4C7D23E30 (1)
Weight, g/mol:	462.208549
ΔH_f, kcal/mol:	-127.94
Dipole, Da:	2.76
IP(EA), eV:	-9.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-[2-(3-methoxyazetidin-1-yl)ethyl]pentanoate

Drug info:

PubChemData

Smile

C[C@H](CO)NC(=O)C1=CC(=NC(=N1)O[C@H](C)COC)N2CCC(CC2)C3=C4C(=CC=NC4=NN3)F

DOS

IR

Vibrations