Geometry & MOs

Info

ID:	401217
PubChem CID:	135050589
Reduced:	NSnC34H47 (1)
Stoich.:	ABC34D47 (1)
Weight, g/mol:	587.16243
ΔH_f, kcal/mol:	75.4
Dipole, Da:	2.08
IP(EA), eV:	-8.65(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1R,2R)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]-1-phenyldodecyl]aniline

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)[C@@H]1[C@@H](N1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations