Geometry & MOs

Info

ID:	79733
PubChem CID:	49830181
Reduced:	ClSN3O3H18C20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	4.94
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-propylanilino)ethyl] 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations