Geometry & MOs

Info

ID:

375608

PubChem CID:

134214099

Reduced:

FON6H23C25 (1)

Stoich.:

ABC6D23E25 (1)

Weight, g/mol:

541.084693

ΔHf, kcal/mol:

46.38

Dipole, Da:

3.5

IP(EA), eV:

 -9.26(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[bis(sulfanyl)methyl]-8-[(2S)-1-[[(6E)-6-[2-methyl-4,6-bis(sulfanylidene)-1H-pyrimidin-5-ylidene]-1H-pyrimidin-4-yl]amino]propan-2-yl]quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=NC2=C(C=CC(=C12)F)CCNC3=NC=NC(=C3)C4=CN=C(C=C4)C5CC5

DOS

IR

Vibrations