Geometry & MOs

Info

ID:	16909
PubChem CID:	479301
Reduced:	OSN2H16C17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	59.68
Dipole, Da:	3.67
IP(EA), eV:	-8.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(3-methylphenyl)sulfanylmethyl]-3-oxidoquinazolin-3-ium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)SCC2=NC3=CC=CC=C3C(=[N+]2[O-])C

DOS

IR

Vibrations