Geometry & MOs

Info

ID:

45100

PubChem CID:

10508028

Reduced:

O2N4H15C17 (2)

Stoich.:

A2B4C15D17 (2)

Weight, g/mol:

614.27021

ΔHf, kcal/mol:

59.8

Dipole, Da:

5.52

IP(EA), eV:

 -8.73(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-1-[(2R,3S,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]-2-phenylmethoxyethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)N/N=C/C(=N/NC4=NC(=NC5=CC=CC=C54)C6=CC=CC=C6)/[C@H]([C@@H]([C@@H](CO)O)O)O

DOS

IR

Vibrations