Geometry & MOs

Info

ID:	299051
PubChem CID:	117670390
Reduced:	N3O9C14H23 (1)
Stoich.:	A3B9C14D23 (1)
Weight, g/mol:	575.335922
ΔH_f, kcal/mol:	-386.27
Dipole, Da:	3.26
IP(EA), eV:	-10.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(2R)-3-amino-5-(methylamino)-2,4,6-tris(phenylmethoxy)cyclohexyl]amino]acetate

Drug info:

PubChemData

Smile

C1COC(=O)C1NC2[C@H]([C@H](C([C@H]([C@H]2O)NCC(=O)O)O)NCC(=O)O)O

DOS

IR

Vibrations