Geometry & MOs

Info

ID:	154493
PubChem CID:	56313945
Reduced:	BrO3N4H17C24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	493.03857
ΔH_f, kcal/mol:	-22.23
Dipole, Da:	10.16
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C(=O)N2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations