Geometry & MOs

Info

ID:

325129

PubChem CID:

126681187

Reduced:

SN2F5H29C45 (1)

Stoich.:

AB2C5D29E45 (1)

Weight, g/mol:

1545.41913

ΔHf, kcal/mol:

-39.19

Dipole, Da:

5.66

IP(EA), eV:

 -8.19(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC=CC=C7)C8=C(C(=C(C(=C8F)F)F)F)F)SC9=CC=CC=C91)C

DOS

IR

Vibrations