Geometry & MOs

Info

ID:

181168

PubChem CID:

76715680

Reduced:

FN3O6C34H38 (1)

Stoich.:

AB3C6D34E38 (1)

Weight, g/mol:

813.322991

ΔHf, kcal/mol:

-230.24

Dipole, Da:

7.19

IP(EA), eV:

 -8.91(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-methylsulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)NC4=CC=CC=C4)OC(=O)N5CC6=C(C5)C(=CC=C6)F)C(=O)O

DOS

IR

Vibrations