Geometry & MOs

Info

ID:	404038
PubChem CID:	135064682
Reduced:	ClNSO3C21H28 (1)
Stoich.:	ABCD3E21F28 (1)
Weight, g/mol:	570.17408
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	6.02
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylpentan-3-yl N-[(1R,2R)-1-(4-bromophenyl)-2-(4,4-dimethyl-2-oxo-1,3-oxazolidine-3-carbonyl)-2-fluoro-3-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CCCCC[C@@H](CO)[C@@H](C1=CC(=CC=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations