Geometry & MOs

Info

ID:

327211

PubChem CID:

126689227

Reduced:

SO5H12C16F18 (1)

Stoich.:

AB5C12D16E18 (1)

Weight, g/mol:

594.368225

ΔHf, kcal/mol:

-1128.63

Dipole, Da:

1.59

IP(EA), eV:

 -11.2(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-N-[3-(4-cyclohexylphenyl)-2-[3-(dimethylcarbamoylamino)propyl-methylamino]-4H-quinazolin-4-yl]acetamide

Drug info:

PubChemData

Smile

C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)CC(C(=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)O

DOS

IR

Vibrations