Geometry & MOs

Info

ID:	326410
PubChem CID:	126687490
Reduced:	N2O7C23H34 (1)
Stoich.:	A2B7C23D34 (1)
Weight, g/mol:	450.236601
ΔH_f, kcal/mol:	-281.45
Dipole, Da:	6.32
IP(EA), eV:	-8.57(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-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

CC1=C(C(=NN1C(C)C)O[C@H]2C(C([C@@H](C(O2)CO)O)O)O)CC3=CC=C(C=C3)OC(C)C

DOS

IR

Vibrations