Geometry & MOs

Info

ID:	129282
PubChem CID:	51072166
Reduced:	SO2F3N5C20H22 (1)
Stoich.:	AB2C3D5E20F22 (1)
Weight, g/mol:	371.161184
ΔH_f, kcal/mol:	-135.56
Dipole, Da:	2.41
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2-methoxyanilino)-3-oxopropyl]piperazin-4-ium-1-carboxylate;chloride

Drug info:

PubChemData

Smile

CC(=NCCCN1CCOCC1)C2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F

DOS

IR

Vibrations