Geometry & MOs

Info

ID:	382594
PubChem CID:	134973852
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	984.444863
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	3.72
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,6-dihydroxy-3-[(2R,5R)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-5-[(2R,5S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CC23CC4C[C@]5(CC4(C(=O)N2C1)NC3=O)C(=O)C6=CC=CC=C6N5

DOS

IR

Vibrations