Geometry & MOs

Info

ID:	43447
PubChem CID:	10321311
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-61.37
Dipole, Da:	4.15
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-tert-butyl-3-[(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-yl]-4H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC2[C@@H](CC3=CNC4=CC(=CC2=C34)C(C)(C)C)N(C1)C)NC(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations