Geometry & MOs

Info

ID:	60893
PubChem CID:	26702911
Reduced:	ClON2S2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	421.080636
ΔH_f, kcal/mol:	34.31
Dipole, Da:	10.0
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dithiolan-2-yl)-N-(2-methoxydibenzofuran-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations