Geometry & MOs

Info

ID:	194292
PubChem CID:	78510863
Reduced:	ClN2O2S2C18H21 (1)
Stoich.:	AB2C2D2E18F21 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-60.88
Dipole, Da:	6.91
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate

Drug info:

PubChemData

Smile

C1CCN(C(=O)C(C1)SC(=S)N2CCCC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations