Geometry & MOs

Info

ID:	324866
PubChem CID:	126678506
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	567.137893
ΔH_f, kcal/mol:	-66.7
Dipole, Da:	1.43
IP(EA), eV:	-9.33(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4,6-trioxo-3,5-bis[2-(3-sulfanylbutanoyloxy)ethyl]-1,3,5-triazinan-1-yl]ethyl (3R)-3-sulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C)CC(C)CC(C)(N)OCC1=CC=CC=C1

DOS

IR

Vibrations