Geometry & MOs

Info

ID:	172799
PubChem CID:	75554064
Reduced:	F2O2N5C24H27 (1)
Stoich.:	A2B2C5D24E27 (1)
Weight, g/mol:	485.185866
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	7.62
IP(EA), eV:	-9.11(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-4aH-quinazolin-1-ium-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)N(C(=O)C3N2NC(N3)C(=O)NC4=CC(=C(C=C4)F)F)CC5=CC=CC=C5

DOS

IR

Vibrations