Geometry & MOs

Info

ID:

132395

PubChem CID:

51356269

Reduced:

ClNS2O4H12C13 (1)

Stoich.:

ABC2D4E12F13 (1)

Weight, g/mol:

783.36121

ΔHf, kcal/mol:

-126.48

Dipole, Da:

5.11

IP(EA), eV:

 -9.57(-1.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;7-[[(2R,3S,4R,6S)-2,3,6,7-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptanoyl]amino]heptanoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(N=C(S1)C2=CC=C(C=C2)Cl)CS(=O)(=O)C

DOS

IR

Vibrations