Geometry & MOs

Info

ID:	363055
PubChem CID:	127310086
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	363.186815
ΔH_f, kcal/mol:	2.74
Dipole, Da:	4.99
IP(EA), eV:	-9.04(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)CC2CCC3=CC=CC=C3C2

DOS

IR

Vibrations