Geometry & MOs

Info

ID:

442046

PubChem CID:

135248451

Reduced:

N4O5C32H56 (1)

Stoich.:

A4B5C32D56 (1)

Weight, g/mol:

763.510866

ΔHf, kcal/mol:

-296.27

Dipole, Da:

1.12

IP(EA), eV:

 -9.07(0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[3-[3-[[[4-[[1-(2-aminoethyl)piperidin-4-yl]amino]quinazolin-2-yl]amino]methyl]-1,2-oxazol-5-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=NN1C2CCCCO2)CCCN(CCCN(C3CCCCC3)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations