Geometry & MOs

Info

ID:	41505
PubChem CID:	8146004
Reduced:	N3O4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757186
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[[(4R)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)CN2C(=O)[C@@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations