Geometry & MOs

Info

ID:	231916
PubChem CID:	87574906
Reduced:	ON3C30H39 (1)
Stoich.:	AB3C30D39 (1)
Weight, g/mol:	276.175916
ΔH_f, kcal/mol:	-0.04
Dipole, Da:	3.67
IP(EA), eV:	-8.96(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-one;11-sulfanylundecanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)[C@@H]2C[C@@H](CCN2N3C[C@H]([C@]4(C3)CCCC5=C4C=CC=N5)C=O)C6=CC=CC=C6

DOS

IR

Vibrations