Geometry & MOs

Info

ID:	220643
PubChem CID:	85200862
Reduced:	N3O6H25C26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	475.152555
ΔH_f, kcal/mol:	-195.32
Dipole, Da:	2.84
IP(EA), eV:	-9.25(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-[2-(2-oxo-5aH-pyrimido[5,4-b][1,4]benzothiazin-3-yl)acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)OC)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations