Geometry & MOs

Info

ID:	361759
PubChem CID:	127304575
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	4.55
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxo-1,4-thiazepane-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2CC3=CC=CC=C3C2=O

DOS

IR

Vibrations