Geometry & MOs

Info

ID:

229349

PubChem CID:

87567454

Reduced:

OCl2N3F4H21C24 (1)

Stoich.:

AB2C3D4E21F24 (1)

Weight, g/mol:

636.096264

ΔHf, kcal/mol:

-189.7

Dipole, Da:

8.06

IP(EA), eV:

 -9.57(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)-2,3-bis(3,4,5-trihydroxybenzoyl)oxan-4-yl]-(3,4,5-trihydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC=C(C=C1)F)N[C@H](CCC2=CN=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations