Geometry & MOs

Info

ID:	360948
PubChem CID:	127301779
Reduced:	N2S2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-72.6
Dipole, Da:	9.59
IP(EA), eV:	-9.45(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(4-morpholin-4-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations