Geometry & MOs

Info

ID:	141910
PubChem CID:	52950127
Reduced:	F2O2N3H21C22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	235.96842
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	5.5
IP(EA), eV:	-9.06(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S,6R)-6-bromo-4,5-dihydroxy-3-methoxycyclohex-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C#CC1=CC(=CC=C1)[C@@]2(C(=O)N(C(=N2)N)C)C3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations