Geometry & MOs

Info

ID:

296765

PubChem CID:

117591824

Reduced:

ClSN2O4C36H39 (1)

Stoich.:

ABC2D4E36F39 (1)

Weight, g/mol:

665.249721

ΔHf, kcal/mol:

-98.18

Dipole, Da:

5.99

IP(EA), eV:

 -7.82(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;(3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(C)CN1C2=CC=CC=C2SC3=CC=CC=C31.COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=CC=C3)OC.Cl

DOS

IR

Vibrations