Geometry & MOs

Info

ID:

442412

PubChem CID:

135251922

Reduced:

ClSF2N3O4H22C24 (1)

Stoich.:

ABC2D3E4F22G24 (1)

Weight, g/mol:

680.133018

ΔHf, kcal/mol:

-192.16

Dipole, Da:

5.95

IP(EA), eV:

 -8.4(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-(acetylsulfanylmethyl)-3-[[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]amino]-3-oxopropyl] ethanethioate

Drug info:

PubChemData

Smile

CN1C=CC2=C(C1=O)C3=C4C(CCN3)N(C(C4=CC2CS(=O)(=O)C)C(=O)Cl)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations