Geometry & MOs

Info

ID:	224910
PubChem CID:	85684038
Reduced:	SO8H46C64 (1)
Stoich.:	AB8C46D64 (1)
Weight, g/mol:	375.14091
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	7.2
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(11-bromoundecanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

Smile

CC(=O)OC1=C(C(=C(C=C1C2=CC=CC=C2)C3=C(C(=C(C(=C3)C4=CC=CC=C4)OC(=O)C)C5=CC=CC=C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)S(=O)(=O)C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations