Geometry & MOs

Info

ID:

432331

PubChem CID:

135172464

Reduced:

NOC13H19 (1)

Stoich.:

ABC13D19 (1)

Weight, g/mol:

1193.561976

ΔHf, kcal/mol:

-18.89

Dipole, Da:

1.51

IP(EA), eV:

-8.49(0.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4R)-N-[[2-[2-[2-[2-[2-[4-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2CC(C2)N(C)C

DOS

IR

Vibrations