Geometry & MOs

Info

ID:	231443
PubChem CID:	87573727
Reduced:	SO2C28H33 (1)
Stoich.:	AB2C28D33 (1)
Weight, g/mol:	663.652946
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782888
Charge, e:	0

Chem-info

IUPAC name:

19-amino-20-(4-hydroxy-2-methylbutan-2-yl)octatriacontane-18,21-dione

Drug info:

PubChemData

Smile

CCCCC(CCCOC1=CC=CC=C1[S+](C2=CC=CC=C2)C3=CC=CC=C3)OC=C

DOS

IR

Vibrations