Geometry & MOs

Info

ID:	226687
PubChem CID:	87556884
Reduced:	OAl2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	568.230431
ΔH_f, kcal/mol:	-35.88
Dipole, Da:	0.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763494
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[(2R)-2-[[4-(octoxycarbonylamino)phenyl]sulfonylamino]-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]azanium

Drug info:

PubChemData

Smile

CC(=CC[Al]O[Al])C

DOS

IR

Vibrations