Geometry & MOs

Info

ID:

184370

PubChem CID:

77152597

Reduced:

ClSO6H19C21 (1)

Stoich.:

ABC6D19E21 (1)

Weight, g/mol:

662.37043

ΔHf, kcal/mol:

-201.46

Dipole, Da:

3.66

IP(EA), eV:

 -8.99(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-N-[4-(3-fluoro-4-piperidin-1-ylanilino)-7-methoxyquinazolin-6-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)C3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

DOS

IR

Vibrations