Geometry & MOs

Info

ID:	245633
PubChem CID:	99455691
Reduced:	FSO2N5C25H30 (1)
Stoich.:	ABC2D5E25F30 (1)
Weight, g/mol:	445.164697
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	2.76
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4F

DOS

IR

Vibrations