Geometry & MOs

Info

ID:	53264
PubChem CID:	14709917
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	412.257337
ΔH_f, kcal/mol:	-172.32
Dipole, Da:	4.39
IP(EA), eV:	-9.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R)-4-acetamido-3-acetyloxy-5-cyclohexyl-1-morpholin-4-ylpentan-2-yl] acetate

Drug info:

PubChemData

Smile

C1CCC(CC1)C[C@H]2[C@@H](OC(=O)N2CC3=CC=CC=C3)[C@@H](CN4CCOCC4)O

DOS

IR

Vibrations