Geometry & MOs

Info

ID:	242859
PubChem CID:	99213405
Reduced:	SN2F3O4H21C22 (1)
Stoich.:	AB2C3D4E21F22 (1)
Weight, g/mol:	466.117413
ΔH_f, kcal/mol:	-300.3
Dipole, Da:	4.28
IP(EA), eV:	-9.31(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)C[C@@H]2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F

DOS

IR

Vibrations