Geometry & MOs

Info

ID:	394410
PubChem CID:	135022923
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	428.143095
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	2.02
IP(EA), eV:	-8.46(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4,5-triacetyloxy-6-(prop-2-ynylcarbamoylamino)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C/C(=C(\C)/O)/N=CCC1=CC=CC=C1

DOS

IR

Vibrations