Geometry & MOs

Info

ID:	225627
PubChem CID:	87219068
Reduced:	FSN3O4C29H36 (1)
Stoich.:	ABC3D4E29F36 (1)
Weight, g/mol:	509.234828
ΔH_f, kcal/mol:	-186.02
Dipole, Da:	5.02
IP(EA), eV:	-8.69(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-ethyl-2-hydroxy-N-[(2S)-1-oxo-1-[[5-[2-(phenoxymethyl)phenyl]-1,3-thiazol-2-yl]amino]pentan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CCC1=C(N(C(=N1)OCC)CC2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)F)CNC(=O)C(CC(C)(C)C)S

DOS

IR

Vibrations