Geometry & MOs

Info

ID:	56608
PubChem CID:	17487179
Reduced:	SN8C22H26 (1)
Stoich.:	AB8C22D26 (1)
Weight, g/mol:	371.086115
ΔH_f, kcal/mol:	172.0
Dipole, Da:	7.03
IP(EA), eV:	-8.98(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=NN=NN3C4=CC=CC=C4)N(C)C

DOS

IR

Vibrations