Geometry & MOs

Info

ID:	361787
PubChem CID:	127304634
Reduced:	NS2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	374.097014
ΔH_f, kcal/mol:	-104.98
Dipole, Da:	4.55
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations