Geometry & MOs

Info

ID:	361824
PubChem CID:	127304730
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-135.35
Dipole, Da:	8.99
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2CSCN2C(=O)C3=CC=CC=C3

DOS

IR

Vibrations