Geometry & MOs

Info

ID:	427362
PubChem CID:	135157649
Reduced:	FNO5C26H34 (1)
Stoich.:	ABC5D26E34 (1)
Weight, g/mol:	502.167078
ΔH_f, kcal/mol:	-279.91
Dipole, Da:	1.98
IP(EA), eV:	-9.24(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4S)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-(2-hydroxyethyl)-4-[(5-methyl-1,3-oxazole-2-carbonyl)amino]pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCO)C[C@@H](CC1=CC=C(C=C1)C2=CC(=CC=C2)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations