Geometry & MOs

Info

ID:	366159
PubChem CID:	127319568
Reduced:	SF2N3O3C18H19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-156.73
Dipole, Da:	6.79
IP(EA), eV:	-9.53(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=NN(C3=C2CCC3)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations