Geometry & MOs

Info

ID:	144081
PubChem CID:	53308533
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	522.98809
ΔH_f, kcal/mol:	51.99
Dipole, Da:	0.47
IP(EA), eV:	-8.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4S,5R,6S)-4,5-diacetyloxy-2-(bromomethyl)-6-(2-chloro-4-nitrophenoxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CONCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations