Geometry & MOs

Info

ID:	48411
PubChem CID:	10545449
Reduced:	BrOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-30.29
Dipole, Da:	3.48
IP(EA), eV:	-9.12(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-benzyl-3-[(E,4S,5R,7S)-7-hydroxy-4,5-dimethyloct-2-enoyl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCC(C3=C2C=C(C=C3)Br)(C)C)O

DOS

IR

Vibrations