Geometry & MOs

Info

ID:	361764
PubChem CID:	127304611
Reduced:	NSO2C7H11 (2)
Stoich.:	ABC2D7E11 (2)
Weight, g/mol:	352.145678
ΔH_f, kcal/mol:	-167.35
Dipole, Da:	6.08
IP(EA), eV:	-8.84(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations