Geometry & MOs

Info

ID:	446510
PubChem CID:	135275556
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-79.74
Dipole, Da:	3.77
IP(EA), eV:	-9.93(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC2=C(CCN(C2)C(=O)C3=CC=CC=C3)C(=C1)[N+](=O)[O-]

DOS

IR

Vibrations