Geometry & MOs

Info

ID:	163825
PubChem CID:	74380511
Reduced:	ClN2O8C21H29 (1)
Stoich.:	AB2C8D21E29 (1)
Weight, g/mol:	472.161244
ΔH_f, kcal/mol:	-321.81
Dipole, Da:	5.38
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chloro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)OC2(C(C(C(C(O2)CO)O)O)O)O)CC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations