Geometry & MOs

Info

ID:	230784
PubChem CID:	87571991
Reduced:	FNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	832.349044
ΔH_f, kcal/mol:	-74.29
Dipole, Da:	2.47
IP(EA), eV:	-9.08(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC/C=C/COC1=CC=CC(=C1F)CN

DOS

IR

Vibrations