Geometry & MOs

Info

ID:	390899
PubChem CID:	135001470
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	578.20905
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	6.6
IP(EA), eV:	-10.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=CC=C1)C(=O)Cl

DOS

IR

Vibrations