Geometry & MOs

Info

ID:	150787
PubChem CID:	53790483
Reduced:	SCl2N2O2H12C13 (1)
Stoich.:	AB2C2D2E12F13 (1)
Weight, g/mol:	446.178812
ΔH_f, kcal/mol:	-38.66
Dipole, Da:	5.27
IP(EA), eV:	-8.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-(1-ethoxybut-3-enoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCC(=S)NC1=C(N(C(=C1)O)C2=CC(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations