Geometry & MOs

Info

ID:

185067

PubChem CID:

77251058

Reduced:

SO4N5C31H41 (1)

Stoich.:

AB4C5D31E41 (1)

Weight, g/mol:

607.319226

ΔHf, kcal/mol:

-126.28

Dipole, Da:

6.68

IP(EA), eV:

 -8.71(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(C2C1OCC2=O)C(=O)C(C3CCCCC3)NC(=O)C4=CC=C(C=C4)C5=CSC(=N5)N6CCN(CC6)C

DOS

IR

Vibrations