Geometry & MOs

Info

ID:

15275

PubChem CID:

435598

Reduced:

NOSC14H16 (1)

Stoich.:

ABCD14E16 (1)

Weight, g/mol:

247.103085

ΔHf, kcal/mol:

-11.52

Dipole, Da:

4.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.830094

Charge, e:

 0

Chem-info

IUPAC name:

5-ethyl-1,2,3,10-tetrahydrophenothiazin-4-one

Drug info:

PubChemData

Smile

CCS1C2=CC=CC=C2NC3=C1C(=O)CCC3

DOS

IR

Vibrations