Geometry & MOs

Info

ID:	361749
PubChem CID:	127304565
Reduced:	FN2S2O3C16H17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	3.33
IP(EA), eV:	-9.75(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,1-dioxo-1,4-thiazepan-4-yl)-4-oxobutan-2-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CN=C(S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations