Geometry & MOs

Info

ID:	163797
PubChem CID:	74380329
Reduced:	BrO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	474.181372
ΔH_f, kcal/mol:	0.98
Dipole, Da:	9.58
IP(EA), eV:	-8.9(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=C3C=CC(=O)C=C3)N2)NCC4=CC=C(C=C4)Br

DOS

IR

Vibrations