Geometry & MOs

Info

ID:

220392

PubChem CID:

85182344

Reduced:

NSO9H19C22 (1)

Stoich.:

ABC9D19E22 (1)

Weight, g/mol:

487.265734

ΔHf, kcal/mol:

-312.44

Dipole, Da:

11.9

IP(EA), eV:

 -9.44(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(benzylideneamino)phenyl]-4,8-dimethyl-4,4a,5,5a,6a,7,8,9,10,10a,11,11a,12,12a-tetradecahydro-3H-pyrido[2,3-b]phenothiazin-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C2C(C(C2=O)NC(=O)C3=CC4=C(C=C(C=C4)OC)OC3=O)SC1)C(=O)O

DOS

IR

Vibrations