Geometry & MOs

Info

ID:	176259
PubChem CID:	76019662
Reduced:	NO6C20H29 (1)
Stoich.:	AB6C20D29 (1)
Weight, g/mol:	205.030983
ΔH_f, kcal/mol:	-271.55
Dipole, Da:	5.79
IP(EA), eV:	-8.49(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-6-methylidene-2-sulfanylidenequinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=CC(=C(C=C2C3C1CC(C(C3)O)O)OC)OC

DOS

IR

Vibrations