Geometry & MOs

Info

ID:

219172

PubChem CID:

85091212

Reduced:

FNO15C28H50 (1)

Stoich.:

ABC15D28E50 (1)

Weight, g/mol:

660.152614

ΔHf, kcal/mol:

-773.34

Dipole, Da:

5.44

IP(EA), eV:

 -9.84(0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,20-dihydroxy-13-[[3-(hydroxymethyl)thiophen-2-yl]methylamino]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

Drug info:

PubChemData

Smile

CCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)OC3C(C(C(C(O3)CO)F)O)NC(=O)C)O)O)O

DOS

IR

Vibrations