Geometry & MOs

Info

ID:	231126
PubChem CID:	87572711
Reduced:	N2O4C25H48 (1)
Stoich.:	A2B4C25D48 (1)
Weight, g/mol:	490.192686
ΔH_f, kcal/mol:	-273.85
Dipole, Da:	6.3
IP(EA), eV:	-9.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5S,6R)-2-[4-[(4-ethylphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(=O)CC[C@@H](C(=O)OC(C)CC)N

DOS

IR

Vibrations