Geometry & MOs

Info

ID:

449924

PubChem CID:

135302578

Reduced:

O5C23H34 (1)

Stoich.:

A5B23C34 (1)

Weight, g/mol:

830.366443

ΔHf, kcal/mol:

-235.45

Dipole, Da:

4.65

IP(EA), eV:

 -10.02(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[2-[3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)OC(=O)/C=C/OC3C=C(C(=O)O3)C)(C)C)C

DOS

IR

Vibrations