Geometry & MOs

Info

ID:	49981
PubChem CID:	11538581
Reduced:	ClO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	400.136947
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	1.48
IP(EA), eV:	-8.49(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-but-3-ynoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=NN=C(O3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations