Geometry & MOs

Info

ID:

82370

PubChem CID:

49855950

Reduced:

ClFO2N5H27C36 (1)

Stoich.:

ABC2D5E27F36 (1)

Weight, g/mol:

617.199381

ΔHf, kcal/mol:

40.25

Dipole, Da:

4.19

IP(EA), eV:

 -8.6(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminophenyl)-3-[4-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC(=O)/C=C/C2=CC=C(C=C2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations