Geometry & MOs

Info

ID:	150241
PubChem CID:	53789928
Reduced:	S2N3O5C9H17 (1)
Stoich.:	A2B3C5D9E17 (1)
Weight, g/mol:	532.500802
ΔH_f, kcal/mol:	-227.39
Dipole, Da:	12.33
IP(EA), eV:	-9.26(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nonyl-2-(2-octadecylphenyl)benzene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](CSSCC(C(=O)O)N)C(=O)O)N

DOS

IR

Vibrations