Geometry & MOs

Info

ID:	53364
PubChem CID:	14710714
Reduced:	OCl2N2H10C15 (1)
Stoich.:	AB2C2D10E15 (1)
Weight, g/mol:	347.036949
ΔH_f, kcal/mol:	2.26
Dipole, Da:	3.57
IP(EA), eV:	-9.26(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

O-(6-chloro-2-methyl-4-oxoquinazolin-3-yl) N-pyridin-1-ium-1-ylcarbamothioate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1C3=CC=C(C=C3)Cl

DOS

IR

Vibrations