Geometry & MOs

Info

ID:	185895
PubChem CID:	77366386
Reduced:	ClO2N3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	463.67512
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	4.58
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-tribromo-5-[bromo(hydroxy)methyl]-3,4-dihydroxyoxolan-2-one

Drug info:

PubChemData

Smile

CC1(C2C(C3=C(O1)C=CC(=C3)C#N)NC(O2)NC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations