Geometry & MOs

Info

ID:	14218
PubChem CID:	406752
Reduced:	ClSN2O4H17C24 (1)
Stoich.:	ABC2D4E17F24 (1)
Weight, g/mol:	464.059756
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	2.83
IP(EA), eV:	-9.54(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] 9-oxofluorene-4-carbothioate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3C(=O)SC4=C(C=C(C=C4)Cl)C(=O)NCCC(=O)N

DOS

IR

Vibrations