Geometry & MOs

Info

ID:	230961
PubChem CID:	87572335
Reduced:	NO2C5H13 (1)
Stoich.:	AB2C5D13 (1)
Weight, g/mol:	526.173842
ΔH_f, kcal/mol:	-117.85
Dipole, Da:	1.52
IP(EA), eV:	-10.13(2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(N)O)O

DOS

IR

Vibrations