Geometry & MOs

Info

ID:	361762
PubChem CID:	127304578
Reduced:	ClSN2O3C14H15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	5.75
IP(EA), eV:	-8.52(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(2-ethylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=C(C3=CC=CC=C3N2)Cl

DOS

IR

Vibrations