Geometry & MOs

Info

ID:	38955
PubChem CID:	8138234
Reduced:	FN2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	330.078662
ΔH_f, kcal/mol:	-65.72
Dipole, Da:	1.72
IP(EA), eV:	-9.8(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC3=C(C=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations