Geometry & MOs

Info

ID:	244863
PubChem CID:	99431516
Reduced:	SN2O3F6H18C21 (1)
Stoich.:	AB2C3D6E18F21 (1)
Weight, g/mol:	492.094233
ΔH_f, kcal/mol:	-416.38
Dipole, Da:	6.37
IP(EA), eV:	-9.6(-1.63)
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-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@](CCNC(=O)C[C@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations