Geometry & MOs

Info

ID:	361808
PubChem CID:	127304714
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-114.36
Dipole, Da:	4.72
IP(EA), eV:	-9.58(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(1,1-dioxo-1,4-thiazepane-4-carbonyl)phenyl]methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations