Geometry & MOs

Info

ID:

434876

PubChem CID:

135175903

Reduced:

N9O9C41H55 (1)

Stoich.:

A9B9C41D55 (1)

Weight, g/mol:

1105.443083

ΔHf, kcal/mol:

-277.58

Dipole, Da:

6.17

IP(EA), eV:

 -8.57(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC(=NC=C2N=C1COCCOCCOCCOC3=CC(=C(C=C3)C(=O)N(C)C(C)CCC(=O)NC=O)C=O)NC4=NC(=NC=C4)N5CCC(CC5)OC

DOS

IR

Vibrations