Geometry & MOs

Info

ID:	398915
PubChem CID:	135036267
Reduced:	BrNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	274.105253
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	3.16
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,6S)-3,6-diacetyloxy-2-methyloxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC1=CC=CC=C1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations