Geometry & MOs

Info

ID:	361779
PubChem CID:	127304626
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-90.69
Dipole, Da:	6.59
IP(EA), eV:	-9.06(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(C=C1)C(=O)N2CCCS(=O)(=O)CC2)C3CC3

DOS

IR

Vibrations