Geometry & MOs

Info

ID:	146191
PubChem CID:	53648855
Reduced:	N5O6C22H33 (1)
Stoich.:	A5B6C22D33 (1)
Weight, g/mol:	406.025741
ΔH_f, kcal/mol:	-255.57
Dipole, Da:	4.36
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,7-difluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC(CNC(=O)C1=C(C=C(C=C1)OCCNC2=NCCCN2)O)C(=O)O

DOS

IR

Vibrations