Geometry & MOs

Info

ID:	192928
PubChem CID:	78326199
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	318.181767
ΔH_f, kcal/mol:	13.62
Dipole, Da:	5.38
IP(EA), eV:	-9.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-butyl-2-(1-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-3-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)CSC2=NC3C(=NC=N3)C(=O)N2)C

DOS

IR

Vibrations