Geometry & MOs

Info

ID:

53365

PubChem CID:

14710715

Reduced:

ClSO2N4H12C15 (1)

Stoich.:

ABC2D4E12F15 (1)

Weight, g/mol:

225.996762

ΔHf, kcal/mol:

48.67

Dipole, Da:

9.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.791807

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C(C=C2)Cl)C(=O)N1OC(=S)N[N+]3=CC=CC=C3

DOS

IR

Vibrations