Geometry & MOs

Info

ID:	43177
PubChem CID:	10319115
Reduced:	O2N3C25H31 (1)
Stoich.:	A2B3C25D31 (1)
Weight, g/mol:	406.025741
ΔH_f, kcal/mol:	-35.99
Dipole, Da:	5.91
IP(EA), eV:	-9.19(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4,5-difluoro-1,3-benzothiazol-2-yl)methyl]-3-oxo-1,4-benzothiazin-2-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCN(CCCNC(CC(=O)NC1)C2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations