Geometry & MOs

Info

ID:	187471
PubChem CID:	77576144
Reduced:	SN2F3O4C21H23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-274.47
Dipole, Da:	4.27
IP(EA), eV:	-9.39(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(methylcarbamoylamino)-1-(5-naphthalen-2-yl-1H-imidazol-2-yl)pentyl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)N(CC2=CC=CO2)C(CCCSCC(=O)C(F)(F)F)C(=O)N

DOS

IR

Vibrations