Geometry & MOs

Info

ID:	237015
PubChem CID:	92716908
Reduced:	ClSN2O5C24H31 (1)
Stoich.:	ABC2D5E24F31 (1)
Weight, g/mol:	480.148571
ΔH_f, kcal/mol:	-200.6
Dipole, Da:	7.18
IP(EA), eV:	-9.44(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(CC)CC)Cl

DOS

IR

Vibrations