Geometry & MOs

Info

ID:

320008

PubChem CID:

126657846

Reduced:

N2C41H74 (1)

Stoich.:

A2B41C74 (1)

Weight, g/mol:

1021.373276

ΔHf, kcal/mol:

-88.63

Dipole, Da:

1.33

IP(EA), eV:

 -7.81(1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[3-[2-[1-[(E)-4-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enyl]azetidin-2-yl]morpholin-4-yl]propoxy]quinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide

Drug info:

PubChemData

Smile

CC1(CC(C1)C(C)(C)CCC(C)(C)CCC2CC3(C2)CCCCC3)CCN(C)CC4=CC5(CCN4C)CC5CC(C)(C)C

DOS

IR

Vibrations