Geometry & MOs

Info

ID:	175404
PubChem CID:	75899028
Reduced:	FN3O4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	431.200454
ΔH_f, kcal/mol:	-167.53
Dipole, Da:	4.8
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl]-methyl-[3-(2-methylphenoxy)propyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)N3CC4=CC=CC=C4CC3C(=O)OC)F

DOS

IR

Vibrations