Geometry & MOs

Info

ID:

89754

PubChem CID:

49964362

Reduced:

ClSN3O3C22H27 (1)

Stoich.:

ABC3D3E22F27 (1)

Weight, g/mol:

462.12543

ΔHf, kcal/mol:

-61.9

Dipole, Da:

2.05

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.219927

Charge, e:

 -1

Chem-info

IUPAC name:

ethyl N-[10-(3-morpholin-4-ylpropanoyl)phenothiazin-2-yl]carbamate;chloride

Drug info:

PubChemData

Smile

CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.[Cl-]

DOS

IR

Vibrations