Geometry & MOs

Info

ID:	128084
PubChem CID:	51030458
Reduced:	SO2N6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	422.149124
ΔH_f, kcal/mol:	30.97
Dipole, Da:	7.84
IP(EA), eV:	-8.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC(=C3C(=N2)NCC4=CC=CC=N4)C5=CC=CC=C5)S(=O)(=O)N

DOS

IR

Vibrations