Geometry & MOs

Info

ID:	39176
PubChem CID:	8139869
Reduced:	N3O3C25H28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	314.093643
ΔH_f, kcal/mol:	-32.4
Dipole, Da:	7.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.005119
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations