Geometry & MOs

Info

ID:

163848

PubChem CID:

74380544

Reduced:

SN2O6C20H29 (2)

Stoich.:

AB2C6D20E29 (2)

Weight, g/mol:

547.283492

ΔHf, kcal/mol:

-495.78

Dipole, Da:

8.2

IP(EA), eV:

 -8.91(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(dimethylamino)-1-[6-(hydroxyiminomethyl)-2-methoxyquinolin-3-yl]-2-naphthalen-2-yl-1-phenylhexan-2-ol

Drug info:

PubChemData

Smile

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)NC4C(C(C(C(O4)COS(=O)(=O)[O-])O)OCC5=CC=CC=C5)O)CCCC.[NH4+]

DOS

IR

Vibrations