Geometry & MOs

Info

ID:	395223
PubChem CID:	135024952
Reduced:	NOSC16H17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	436.119189
ΔH_f, kcal/mol:	-13.68
Dipole, Da:	2.3
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,5-diacetyloxy-6-phenylsulfanyl-4-prop-2-ynoxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)SC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations