Geometry & MOs

Info

ID:	155861
PubChem CID:	56367943
Reduced:	BrO3N4H15C19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	461.104542
ΔH_f, kcal/mol:	-18.4
Dipole, Da:	4.93
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OC2=NC=C(C=C2)C(=O)NCC(=O)NC3=CN=CC=C3

DOS

IR

Vibrations