Geometry & MOs

Info

ID:	242858
PubChem CID:	99213403
Reduced:	BrNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	466.117413
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	1.22
IP(EA), eV:	-9.53(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-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\C2=CC(=CC=C2)Br

DOS

IR

Vibrations