Geometry & MOs

Info

ID:	326409
PubChem CID:	126687489
Reduced:	NOC28H37 (1)
Stoich.:	ABC28D37 (1)
Weight, g/mol:	450.236601
ΔH_f, kcal/mol:	15.06
Dipole, Da:	4.86
IP(EA), eV:	-8.15(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-2-(hydroxymethyl)-6-[5-methyl-1-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methyl]pyrazol-3-yl]oxyoxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCCCC(COC1=CC=C(C=C1)N2C(=C(C(=C2C)/C=C\C=C)/C=C\C=C)C)CC

DOS

IR

Vibrations