Geometry & MOs

Info

ID:	52135
PubChem CID:	12014924
Reduced:	N2O3S3C23H26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	401.849734
ΔH_f, kcal/mol:	-56.76
Dipole, Da:	7.2
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,10-diethyltrithiolo[4,5-h][1,2,3,4,5]benzopentathiepine 8-oxide

Drug info:

PubChemData

Smile

CC(C)[C@H]1CSC(=S)N1C(=O)CS(=O)CC(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations