Geometry & MOs

Info

ID:	29118
PubChem CID:	831684
Reduced:	N4O4H14C15 (1)
Stoich.:	A4B4C14D15 (1)
Weight, g/mol:	328.068177
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	7.65
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(6-methoxy-4-methylquinazolin-2-yl) 2-fluorobenzenecarbothioate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC(=O)N=C(N1)NC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations