Geometry & MOs

Info

ID:	29990
PubChem CID:	838771
Reduced:	OCl2N2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	322.995382
ΔH_f, kcal/mol:	9.1
Dipole, Da:	4.22
IP(EA), eV:	-9.0(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorobut-2-enylsulfanyl)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Drug info:

PubChemData

Smile

CCC(=O)N1[C@H](CC(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations