Geometry & MOs

Info

ID:	244862
PubChem CID:	99431513
Reduced:	N3O3F4H17C21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	492.094233
ΔH_f, kcal/mol:	-237.09
Dipole, Da:	1.17
IP(EA), eV:	-9.6(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-[(3S)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)F)(C(F)(F)F)O

DOS

IR

Vibrations