Geometry & MOs

Info

ID:	51943
PubChem CID:	12014713
Reduced:	NO5C25H45 (1)
Stoich.:	AB5C25D45 (1)
Weight, g/mol:	337.261694
ΔH_f, kcal/mol:	-303.67
Dipole, Da:	6.45
IP(EA), eV:	-9.78(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-(cyclohexylamino)-5-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxolan-2-one

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H](CC(=O)O2)OCC(CC(C)C)NC(=O)C(C)(C)C)C(C)C

DOS

IR

Vibrations