Geometry & MOs

Info

ID:	189211
PubChem CID:	77828035
Reduced:	SF3N3O4C20H28 (1)
Stoich.:	AB3C3D4E20F28 (1)
Weight, g/mol:	436.214427
ΔH_f, kcal/mol:	-312.58
Dipole, Da:	2.97
IP(EA), eV:	-9.34(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-acetamidophenyl)sulfonylamino]cyclohexyl]-2-amino-N-cyclobutyl-N-methylacetamide

Drug info:

PubChemData

Smile

CN(C1CCC1)C(=O)C(C2CCC(CC2)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F)N

DOS

IR

Vibrations