Geometry & MOs

Info

ID:

428598

PubChem CID:

135167728

Reduced:

N5O5C39H53 (1)

Stoich.:

A5B5C39D53 (1)

Weight, g/mol:

1106.481473

ΔHf, kcal/mol:

-218.01

Dipole, Da:

6.42

IP(EA), eV:

 -8.61(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[4-[[3-chloro-4-(2-cyano-3-pyridazin-4-ylphenoxy)benzoyl]amino]-2,2,6,6-tetramethylpiperazin-1-yl]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCN(CC5)C(=O)OC(C)(C)C

DOS

IR

Vibrations