Geometry & MOs

Info

ID:	168164
PubChem CID:	74931826
Reduced:	N4O8C35H52 (1)
Stoich.:	A4B8C35D52 (1)
Weight, g/mol:	570.126793
ΔH_f, kcal/mol:	-317.3
Dipole, Da:	6.8
IP(EA), eV:	-8.78(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3,5-triacetyloxy-6-[[1-(4-sulfamoylphenyl)triazol-4-yl]methoxy]oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CCN1CCCC1CNC2=C3CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC2=O)C3=O)C)OC)OC(=O)N)C)C)O)OC)C

DOS

IR

Vibrations