Geometry & MOs

Info

ID:

449742

PubChem CID:

135301086

Reduced:

O3N4C24H35 (2)

Stoich.:

A3B4C24D35 (2)

Weight, g/mol:

540.169496

ΔHf, kcal/mol:

-258.28

Dipole, Da:

3.85

IP(EA), eV:

 -8.74(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[(E,2R)-4-chloro-3-[(E)-1-chloro-2-(methylideneamino)ethenyl]pent-3-en-2-yl]oxy-1H-indazol-3-yl]phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=NC=C(N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CN=C(N4)[C@H](C(C)(C)C)NC(=O)C(C)(C(C)(C)C)OC(=O)N(C)C)NC(=O)C(C)(C(C)(C)C)OC(=O)N(C)C

DOS

IR

Vibrations