Geometry & MOs

Info

ID:	329529
PubChem CID:	126737840
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	539.134385
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	2.98
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-dibenzofuran-3-yl-25-thia-3-azaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2(10),4,6,8,11,13,15,18(26),19,21,23,27-tridecaene

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)CS)CC(C)(C)C(=O)NC1=CC=CC2=C1N=CC=C2

DOS

IR

Vibrations