Geometry & MOs

Info

ID:	140322
PubChem CID:	52682005
Reduced:	S2F3O3N4C18H23 (1)
Stoich.:	A2B3C3D4E18F23 (1)
Weight, g/mol:	453.219846
ΔH_f, kcal/mol:	-224.97
Dipole, Da:	9.9
IP(EA), eV:	-8.81(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]-3-oxopropyl]naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SC)CCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations