Geometry & MOs

Info

ID:	361789
PubChem CID:	127304636
Reduced:	SN2O5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-179.98
Dipole, Da:	6.35
IP(EA), eV:	-9.62(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-butan-2-ylphenyl)-4-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4

DOS

IR

Vibrations