Geometry & MOs

Info

ID:

231492

PubChem CID:

87573908

Reduced:

ClO2N9C25H32 (1)

Stoich.:

AB2C9D25E32 (1)

Weight, g/mol:

790.302094

ΔHf, kcal/mol:

4.03

Dipole, Da:

9.42

IP(EA), eV:

 -9.24(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)NC1CCC(CC1)NC2=NN3C(=CN=C3C(=C2)NC4CC4)C(=O)NC5=CC(=NC=C5)Cl

DOS

IR

Vibrations