Geometry & MOs

Info

ID:	35276
PubChem CID:	7979613
Reduced:	SN2O3C18H28 (1)
Stoich.:	AB2C3D18E28 (1)
Weight, g/mol:	353.104542
ΔH_f, kcal/mol:	-137.68
Dipole, Da:	6.72
IP(EA), eV:	-9.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyanoethyl] 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCC2CCCCC2

DOS

IR

Vibrations