Geometry & MOs

Info

ID:	361802
PubChem CID:	127304708
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	374.097014
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	4.57
IP(EA), eV:	-9.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations