Geometry & MOs

Info

ID:	416395
PubChem CID:	135089408
Reduced:	F2N5O6C32H39 (1)
Stoich.:	A2B5C6D32E39 (1)
Weight, g/mol:	379.102434
ΔH_f, kcal/mol:	-334.15
Dipole, Da:	7.12
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N1)C(=O)C3=CC=C(C=C3)OC(F)F)CC4=CC=CC=C4)C(C)C

DOS

IR

Vibrations