Geometry & MOs

Info

ID:

427322

PubChem CID:

135157137

Reduced:

ClFSN7O11C58H65 (1)

Stoich.:

ABCD7E11F58G65 (1)

Weight, g/mol:

1105.443083

ΔHf, kcal/mol:

-356.67

Dipole, Da:

6.15

IP(EA), eV:

 -8.61(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[3-fluoro-4-[7-[3-[3-[3-[[(2S)-1-[(2S,4S)-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

CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCOCCOCCOCC4=CC=C(O4)C5=CC6=C(C=C5)N=CN=C6NC7=CC(=C(C=C7)OCC8=CC(=CC=C8)F)Cl)O

DOS

IR

Vibrations