Geometry & MOs

Info

ID:	360926
PubChem CID:	127301757
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	330.070799
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	7.8
IP(EA), eV:	-9.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)N2CCCS(=O)(=O)CC2)C

DOS

IR

Vibrations