Geometry & MOs

Info

ID:

296764

PubChem CID:

117591795

Reduced:

S2N4O10H44C49 (1)

Stoich.:

A2B4C10D44E49 (1)

Weight, g/mol:

630.231907

ΔHf, kcal/mol:

-249.56

Dipole, Da:

6.39

IP(EA), eV:

 -8.13(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;7-methoxy-2-(3-methoxyphenyl)chromen-4-one;hydrochloride

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O.CN1CCC2=C(C1)C3=CC=CC=C3N2CC4=CC=CC=C4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O

DOS

IR

Vibrations