Geometry & MOs

Info

ID:	193323
PubChem CID:	78375686
Reduced:	O4N5C20H23 (1)
Stoich.:	A4B5C20D23 (1)
Weight, g/mol:	534.112854
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	5.33
IP(EA), eV:	-8.61(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-6-sulfanylidene-8aH-[1,3]dioxolo[4,5-g]quinazolin-8-one

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)C2=[N+]3CCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations