Geometry & MOs

Info

ID:	208326
PubChem CID:	80520335
Reduced:	ClNSO5C13H16 (1)
Stoich.:	ABCD5E13F16 (1)
Weight, g/mol:	331.091201
ΔH_f, kcal/mol:	-202.49
Dipole, Da:	7.4
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyl-1-thiophen-2-ylpropyl)-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC(N1CC2=CC(=C(C=C2)O)Cl)CC(=O)O

DOS

IR

Vibrations