Geometry & MOs

Info

ID:	47025
PubChem CID:	10529010
Reduced:	N4O9C21H36 (1)
Stoich.:	A4B9C21D36 (1)
Weight, g/mol:	488.219889
ΔH_f, kcal/mol:	-405.03
Dipole, Da:	7.45
IP(EA), eV:	-9.98(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,2R,3R,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-7-oxabicyclo[4.1.0]heptan-2-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)C1(CO1)CO)NC(=O)[C@@H](C)C(=O)N)O

DOS

IR

Vibrations