Geometry & MOs

Info

ID:

82132

PubChem CID:

49855663

Reduced:

SN3O8C34H39 (1)

Stoich.:

AB3C8D34E39 (1)

Weight, g/mol:

590.164984

ΔHf, kcal/mol:

-296.73

Dipole, Da:

5.73

IP(EA), eV:

 -8.83(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)methyl]furan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N(C2CCCN(C2=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations