Geometry & MOs

Info

ID:

435249

PubChem CID:

135186124

Reduced:

S2F5N7O16C52H72 (1)

Stoich.:

A2B5C7D16E52F72 (1)

Weight, g/mol:

436.188589

ΔHf, kcal/mol:

-906.15

Dipole, Da:

12.88

IP(EA), eV:

 -8.99(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4R,5R,6R)-2-(1-hydroxy-2,2,2-triphenylethyl)-6-methoxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CCCN)C(=O)CSCC(C(=O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CNC(=O)C(CC(=O)O)SCC(C(=O)O)N.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations