Geometry & MOs

Info

ID:	230411
PubChem CID:	87570823
Reduced:	N2C23H38 (1)
Stoich.:	A2B23C38 (1)
Weight, g/mol:	510.162528
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	2.93
IP(EA), eV:	-7.4(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C(=C1N)CC)C2CCCCC2)N)CC3CCCCC3

DOS

IR

Vibrations