Geometry & MOs

Info

ID:	43658
PubChem CID:	10321601
Reduced:	SCl2N3O3H19C20 (1)
Stoich.:	AB2C3D3E19F20 (1)
Weight, g/mol:	452.119521
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	4.06
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[4-[4-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]phenoxy]-2-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1NC2=CN=CC=C2)C)NS(=O)(=O)C3=C(C(=CC(=C3)Cl)Cl)O)C

DOS

IR

Vibrations