Geometry & MOs

Info

ID:	43058
PubChem CID:	10318251
Reduced:	N2S2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	390.20738
ΔH_f, kcal/mol:	-93.95
Dipole, Da:	1.6
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-bis(methoxymethoxy)cyclopent-2-en-1-yl] acetate

Drug info:

PubChemData

Smile

C[C@@]1(COC(O1)(C)C)C2=CN=C(S2)SC3=CC4=C(C=C3)N(C(=O)CC4)C

DOS

IR

Vibrations