Geometry & MOs

Info

ID:	63174
PubChem CID:	26746575
Reduced:	ClFNO3C12H13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	437.104542
ΔH_f, kcal/mol:	-176.93
Dipole, Da:	3.83
IP(EA), eV:	-9.15(-0.68)
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]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC(=O)O[C@H](C)C(=O)NC1=C(C=C(C=C1)Cl)F

DOS

IR

Vibrations