Geometry & MOs

Info

ID:	139741
PubChem CID:	52587539
Reduced:	SO3N4C16H27 (1)
Stoich.:	AB3C4D16E27 (1)
Weight, g/mol:	432.164499
ΔH_f, kcal/mol:	-93.87
Dipole, Da:	7.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752476
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[2-[(4R)-4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[NH+]1CCC(CC1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

DOS

IR

Vibrations