Geometry & MOs

Info

ID:	339737
PubChem CID:	127261739
Reduced:	ClSN3O5C16H18 (1)
Stoich.:	ABC3D5E16F18 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	7.37
IP(EA), eV:	-9.64(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-tert-butylcyclohexylidene)-2-methylpropan-2-yl] N-aminocarbamate

Drug info:

PubChemData

Smile

CC(C)(C/C=N/C1=CC=C(O1)S(=O)(=O)C2=CC=C(C=C2)Cl)OC(=O)NN

DOS

IR

Vibrations