Geometry & MOs

Info

ID:

148645

PubChem CID:

53788313

Reduced:

NSO2F4H19C20 (1)

Stoich.:

ABC2D4E19F20 (1)

Weight, g/mol:

663.165139

ΔHf, kcal/mol:

-215.63

Dipole, Da:

7.73

IP(EA), eV:

 -9.12(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[5-[3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]pyridin-2-yl]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CC(C1=CC(=CC(=C1)C=S)C(F)(F)F)O[C@@H]2[C@@H](NCCO2)C3=CC=C(C=C3)F

DOS

IR

Vibrations