Geometry & MOs

Info

ID:	140186
PubChem CID:	52659892
Reduced:	BrOSF2N2H11C18 (1)
Stoich.:	ABCD2E2F11G18 (1)
Weight, g/mol:	345.092498
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	5.91
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC(=C2)F)F)SC3=NC=C(C=C3)Br

DOS

IR

Vibrations