Geometry & MOs

Info

ID:	361770
PubChem CID:	127304617
Reduced:	SN2O4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	316.145678
ΔH_f, kcal/mol:	-156.03
Dipole, Da:	6.35
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)CCC3=CC=CC=C32

DOS

IR

Vibrations