Geometry & MOs

Info

ID:	217090
PubChem CID:	85087230
Reduced:	BrSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	331.126717
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	4.93
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetamido-4,5-diacetyloxy-3-hydroxy-3-methylcyclopentyl) acetate

Drug info:

PubChemData

Smile

C=CCC(COCC1=CC=C(C=C1)Br)C(CO)S

DOS

IR

Vibrations