Geometry & MOs

Info

ID:

82739

PubChem CID:

49856432

Reduced:

ClO2N11H30C34 (1)

Stoich.:

AB2C11D30E34 (1)

Weight, g/mol:

562.03363

ΔHf, kcal/mol:

142.88

Dipole, Da:

4.68

IP(EA), eV:

 -8.31(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1NC4=NC(=NC(=N4)NC5=CC=C(C=C5)NC6=NC=NC7=CC(=C(C=C76)OC)OC)Cl

DOS

IR

Vibrations