Geometry & MOs

Info

ID:	47094
PubChem CID:	10529531
Reduced:	ClOSN4C28H29 (1)
Stoich.:	ABCD4E28F29 (1)
Weight, g/mol:	504.0896
ΔH_f, kcal/mol:	100.31
Dipole, Da:	2.39
IP(EA), eV:	-8.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-3-[(1S,2S,4S)-4-bromo-2-ethoxy-3-hydroxy-2-methyl-3-(nitromethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CS/C(=N/C1(N(CC(=[N+]1[O-])C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/N5CCCCC5

DOS

IR

Vibrations