Geometry & MOs

Info

ID:	194889
PubChem CID:	78603898
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	380.161031
ΔH_f, kcal/mol:	-130.91
Dipole, Da:	6.8
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)O)N1C(SCC1=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations