Geometry & MOs

Info

ID:	140014
PubChem CID:	52630738
Reduced:	SN4O4C23H31 (1)
Stoich.:	AB4C4D23E31 (1)
Weight, g/mol:	421.261494
ΔH_f, kcal/mol:	-112.61
Dipole, Da:	5.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964547
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[[2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-(2-methylpropyl)amino]ethyl]azanium

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations