Geometry & MOs

Info

ID:	132462
PubChem CID:	51365213
Reduced:	SN3O3H17C22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	387.140533
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	4.86
IP(EA), eV:	-8.99(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-3-[4-(dimethylamino)phenyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

DOS

IR

Vibrations