Geometry & MOs

Info

ID:	360963
PubChem CID:	127301794
Reduced:	NSO4C18H25 (1)
Stoich.:	ABC4D18E25 (1)
Weight, g/mol:	314.075885
ΔH_f, kcal/mol:	-167.93
Dipole, Da:	7.23
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(pyridin-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(CCC2)CC(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations