Geometry & MOs

Info

ID:	185128
PubChem CID:	77259980
Reduced:	ClSO2N3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	606.107494
ΔH_f, kcal/mol:	-66.04
Dipole, Da:	4.05
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-chloro-3-[[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCSC1=C(C(=CC(=N1)N2CCOCC2C)C)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations