Geometry & MOs

Info

ID:	184379
PubChem CID:	77154084
Reduced:	Cl3O3N5C26H36 (1)
Stoich.:	A3B3C5D26E36 (1)
Weight, g/mol:	512.2078
ΔH_f, kcal/mol:	-168.18
Dipole, Da:	4.06
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-(4-chlorophenyl)-4,4-dimethyl-1-oxopentan-3-yl]-(cyclopropylmethyl)carbamic acid

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC4CCOCC4)C5=CC=C(C=C5)Cl)O.Cl.Cl

DOS

IR

Vibrations