Geometry & MOs

Info

ID:	361811
PubChem CID:	127304717
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-85.03
Dipole, Da:	5.73
IP(EA), eV:	-8.6(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,1-dioxo-1,4-thiazepan-4-yl)-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C=CC3=CC=CC=C32

DOS

IR

Vibrations