Geometry & MOs

Info

ID:

214649

PubChem CID:

85083339

Reduced:

ClFN3O4C31H33 (1)

Stoich.:

ABC3D4E31F33 (1)

Weight, g/mol:

565.155053

ΔHf, kcal/mol:

-143.33

Dipole, Da:

0.79

IP(EA), eV:

 -8.71(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methylideneamino]-3-[4-(1H-indol-3-yl)butanoyl]-5-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1CN(C(CN1CC2=CC=C(C=C2)F)OCC3=CC=CC=C3)C(=O)C=CC4=CC(=C(C=C4NC(=O)C)Cl)OC

DOS

IR

Vibrations