Geometry & MOs

Info

ID:

227191

PubChem CID:

87560501

Reduced:

SF3O4H17C18 (1)

Stoich.:

AB3C4D17E18 (1)

Weight, g/mol:

683.159231

ΔHf, kcal/mol:

-275.18

Dipole, Da:

6.58

IP(EA), eV:

 -8.77(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(Z)-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-2H-quinazolin-6-ylidene]amino]oxybutyl]-2,2,2-trifluoro-N-(2-methylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(F)(F)F)CC(=O)O)CS(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations