Geometry & MOs

Info

ID:

82740

PubChem CID:

49856434

Reduced:

BrClFPO2N4H22C24 (1)

Stoich.:

ABCDE2F4G22H24 (1)

Weight, g/mol:

574.164904

ΔHf, kcal/mol:

-57.18

Dipole, Da:

3.54

IP(EA), eV:

 -8.91(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=C(C(=C(C=C5)Br)Cl)F

DOS

IR

Vibrations