Geometry & MOs

Info

ID:	50952
PubChem CID:	12013552
Reduced:	NO2S2C17H21 (1)
Stoich.:	AB2C2D17E21 (1)
Weight, g/mol:	495.102159
ΔH_f, kcal/mol:	-14.21
Dipole, Da:	6.33
IP(EA), eV:	-8.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,4S)-2,3-diacetyloxy-4-[[5-(4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,3-thiazol-3-yl]oxy]cyclopentyl] acetate

Drug info:

PubChemData

Smile

CC1=C(SC(=S)N1OC2CCCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations