Geometry & MOs

Info

ID:	40947
PubChem CID:	8145003
Reduced:	ClN3O4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	407.161184
ΔH_f, kcal/mol:	-153.44
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757165
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC[C@@]1(C(=O)N(C(=O)N1)C[NH+]2CCC(CC2)C(=O)OCC)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations