Geometry & MOs

Info

ID:	361775
PubChem CID:	127304622
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	311.073991
ΔH_f, kcal/mol:	-154.2
Dipole, Da:	4.75
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(6-fluoro-1H-benzimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations