Geometry & MOs

Info

ID:

230990

PubChem CID:

87572410

Reduced:

Cl2N3O4C23H27 (1)

Stoich.:

A2B3C4D23E27 (1)

Weight, g/mol:

822.23159

ΔHf, kcal/mol:

-135.61

Dipole, Da:

4.6

IP(EA), eV:

 -9.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[[4-[(4-bromo-3-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)N(CC1(CC1)COC2=CC(=C(N=C2)Cl)C3=CC=C(C=C3)NC(=O)CCl)C(=O)O

DOS

IR

Vibrations