Geometry & MOs

Info

ID:

175817

PubChem CID:

75952194

Reduced:

SN4O6F7C37H37 (1)

Stoich.:

AB4C6D7E37F37 (1)

Weight, g/mol:

470.155238

ΔHf, kcal/mol:

-510.14

Dipole, Da:

5.8

IP(EA), eV:

 -9.54(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(trifluoromethoxy)phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCC1C(CCCN1C(=O)C2=C(C=CN=C2)C(F)(F)F)(C(=O)N3CCC(CC3)(C#N)C4=C(C(=CC=C4)F)OCCCC(=O)O)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations