Geometry & MOs

Info

ID:

82605

PubChem CID:

49856236

Reduced:

N3O7C33H33 (1)

Stoich.:

A3B7C33D33 (1)

Weight, g/mol:

601.173954

ΔHf, kcal/mol:

-239.8

Dipole, Da:

3.4

IP(EA), eV:

 -8.43(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=CC3=C(C=C12)C4=C(O3)CCCC4)CC(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NCCCC(=O)O

DOS

IR

Vibrations