Geometry & MOs

Info

ID:	361773
PubChem CID:	127304620
Reduced:	SN4O4C13H16 (1)
Stoich.:	AB4C4D13E16 (1)
Weight, g/mol:	329.086784
ΔH_f, kcal/mol:	-100.64
Dipole, Da:	8.65
IP(EA), eV:	-9.0(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)N3C=CC=CC3=N2

DOS

IR

Vibrations