Geometry & MOs

Info

ID:	84340
PubChem CID:	49865930
Reduced:	NSO4C18H21 (1)
Stoich.:	ABC4D18E21 (1)
Weight, g/mol:	521.317495
ΔH_f, kcal/mol:	-105.66
Dipole, Da:	3.43
IP(EA), eV:	-9.33(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5S)-4-benzyl-3,3-dioxo-1,3,4-oxathiazinan-5-yl]methyl (Z)-octadec-9-enoate

Drug info:

PubChemData

Smile

C1[C@H](N(S(=O)(=O)CO1)CC2=CC=CC=C2)COCC3=CC=CC=C3

DOS

IR

Vibrations