Geometry & MOs

Info

ID:	324132
PubChem CID:	126676984
Reduced:	ON8C21H30 (1)
Stoich.:	AB8C21D30 (1)
Weight, g/mol:	379.96623
ΔH_f, kcal/mol:	58.13
Dipole, Da:	1.84
IP(EA), eV:	-8.32(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5R)-3-bromo-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations