Geometry & MOs

Info

ID:	43656
PubChem CID:	10321599
Reduced:	IN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	451.02531
ΔH_f, kcal/mol:	-81.05
Dipole, Da:	1.47
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[(4-bromo-2-fluorophenyl)methyl]-6-methyl-3-oxo-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1=CC(=CC=C1)O)C(=O)CCC2=CC=C(C=C2)I

DOS

IR

Vibrations