Geometry & MOs

Info

ID:	140826
PubChem CID:	52767852
Reduced:	FOSN3C21H23 (1)
Stoich.:	ABCD3E21F23 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	2.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.981350
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[5-(ethylsulfamoyl)-2-methylbenzoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC(=C12)F)C(=O)NCC3=C([NH+]=CC=C3)N4CCCCC4

DOS

IR

Vibrations