Geometry & MOs

Info

ID:	245020
PubChem CID:	99432147
Reduced:	FN3O5H18C23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	492.096677
ΔH_f, kcal/mol:	-130.71
Dipole, Da:	4.32
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2O1)CNC(=O)C3=NN(C(=O)C=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations