Geometry & MOs

Info

ID:	133122
PubChem CID:	51480137
Reduced:	ClSN4O5H19C21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	449.125671
ΔH_f, kcal/mol:	-159.86
Dipole, Da:	5.24
IP(EA), eV:	-9.13(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)N)SC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

DOS

IR

Vibrations