Geometry & MOs

Info

ID:	43874
PubChem CID:	10321914
Reduced:	SO3N4H22C25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	458.185098
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	7.94
IP(EA), eV:	-8.7(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butylsulfonylamino)-6,6,6-trifluoro-N-(1-naphthalen-1-ylethyl)hexanamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1CC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations