Geometry & MOs

Info

ID:	35093
PubChem CID:	7979297
Reduced:	ClNSO3H18C20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	354.185138
ΔH_f, kcal/mol:	-84.83
Dipole, Da:	3.39
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclohexylmethyl-[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)OCC3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations