Geometry & MOs

Info

ID:	436511
PubChem CID:	135204713
Reduced:	SO5N6C26H32 (1)
Stoich.:	AB5C6D26E32 (1)
Weight, g/mol:	458.124464
ΔH_f, kcal/mol:	-90.97
Dipole, Da:	3.07
IP(EA), eV:	-8.62(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-[(2S)-oxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C2=C3C(=NC=C2)NN=C3NC4CCS(CC4)(O)O)NC(=O)C5=NOC(=C5)C(C)(C)O

DOS

IR

Vibrations