Geometry & MOs

Info

ID:	361791
PubChem CID:	127304638
Reduced:	N2S2O5C16H24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-204.83
Dipole, Da:	4.09
IP(EA), eV:	-9.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(1-propylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations