Geometry & MOs

Info

ID:

82454

PubChem CID:

49856050

Reduced:

O4C27H44 (1)

Stoich.:

A4B27C44 (1)

Weight, g/mol:

567.239927

ΔHf, kcal/mol:

-220.44

Dipole, Da:

2.66

IP(EA), eV:

 -9.44(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-[(6-methylpyridin-2-yl)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(CCCC(C)(CO)O)[C@H]1CCC\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations