Geometry & MOs

Info

ID:	63171
PubChem CID:	26746572
Reduced:	ClSN2O5C14H19 (1)
Stoich.:	ABC2D5E14F19 (1)
Weight, g/mol:	437.104542
ΔH_f, kcal/mol:	-201.87
Dipole, Da:	8.55
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(2S)-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=CC(=C(C=C1)Cl)S(=O)(=O)N(C)C

DOS

IR

Vibrations