Geometry & MOs

Info

ID:	244719
PubChem CID:	99381157
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	415.123563
ΔH_f, kcal/mol:	53.46
Dipole, Da:	1.39
IP(EA), eV:	-8.31(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2CCC(CC2)NC(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations