Geometry & MOs

Info

ID:	361073
PubChem CID:	127301963
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	7.22
IP(EA), eV:	-8.49(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations