Geometry & MOs

Info

ID:	358608
PubChem CID:	127296367
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	260.038627
ΔH_f, kcal/mol:	-8.97
Dipole, Da:	1.89
IP(EA), eV:	-8.76(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C=NC2=C1)C(=O)N3CCS(=O)CC3)C

DOS

IR

Vibrations