Geometry & MOs

Info

ID:	361786
PubChem CID:	127304633
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	299.064986
ΔH_f, kcal/mol:	-158.92
Dipole, Da:	6.76
IP(EA), eV:	-9.11(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations