Geometry & MOs

Info

ID:	160869
PubChem CID:	57390056
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	547.108103
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	4.53
IP(EA), eV:	-8.37(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-2-methoxypyridin-3-yl]-2-chloro-6-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCN(CC)C(=O)N1CCC2=NC(=NC=C2C1)NC3=CC=CC(=C3)C

DOS

IR

Vibrations