Geometry & MOs

Info

ID:	360962
PubChem CID:	127301793
Reduced:	S2N3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-81.89
Dipole, Da:	7.9
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations