Geometry & MOs

Info

ID:

434519

PubChem CID:

135175122

Reduced:

SN4O4C19H24 (1)

Stoich.:

AB4C4D19E24 (1)

Weight, g/mol:

1059.53643

ΔHf, kcal/mol:

-116.57

Dipole, Da:

8.13

IP(EA), eV:

 -8.73(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[2-[2-[2-[2-[4-[1-[4-[(2-methyl-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]piperidin-4-yl]oxyphenyl]ethoxy]ethoxy]ethoxy]acetyl]amino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NNC=S)O)N2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations