Geometry & MOs

Info

ID:	82611
PubChem CID:	49856243
Reduced:	PO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	484.123119
ΔH_f, kcal/mol:	-17.5
Dipole, Da:	6.68
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(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

C[C@H](C1=CC=CC=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CN5CCP(=O)(CC5)C

DOS

IR

Vibrations