Geometry & MOs

Info

ID:

185068

PubChem CID:

77251059

Reduced:

SO4N5C33H45 (1)

Stoich.:

AB4C5D33E45 (1)

Weight, g/mol:

595.319226

ΔHf, kcal/mol:

-140.89

Dipole, Da:

6.74

IP(EA), eV:

 -8.64(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(6-tert-butyl-3-oxo-3a,5,6,6a-tetrahydrofuro[3,2-b]pyrrol-4-yl)-3,3-dimethyl-1-oxopentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CN(C2C1OCC2=O)C(=O)C(C3CCCCC3)NC(=O)C4=CC=C(C=C4)C5=CSC(=N5)N6CCN(CC6)C

DOS

IR

Vibrations