Geometry & MOs

Info

ID:	392659
PubChem CID:	135017547
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	338.029603
ΔH_f, kcal/mol:	40.26
Dipole, Da:	5.1
IP(EA), eV:	-9.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-sulfanylidene-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC#CC1=NN=C(O1)C2=CC=CC=C2

DOS

IR

Vibrations