Geometry & MOs

Info

ID:

325931

PubChem CID:

126685639

Reduced:

N3H47C53 (1)

Stoich.:

A3B47C53 (1)

Weight, g/mol:

1121.22806

ΔHf, kcal/mol:

172.06

Dipole, Da:

1.76

IP(EA), eV:

 -8.99(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carbonyl]oxyethyl-(2-formyloxyethyl)amino]ethyl 4-[[4-(4-bromo-2-fluoroanilino)quinazolin-7-yl]oxymethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC(=C1)C2=CC(=CC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CC(=NC(=N5)C6=CC=CC=C6)C7=CC(=CC=C7)C(C)(C)C)C8=CC=CC=C8

DOS

IR

Vibrations