Geometry & MOs

Info

ID:	73049
PubChem CID:	48416880
Reduced:	SO2N8H14C18 (1)
Stoich.:	AB2C8D14E18 (1)
Weight, g/mol:	381.05073
ΔH_f, kcal/mol:	104.12
Dipole, Da:	4.77
IP(EA), eV:	-9.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)N4C(=C(C=N4)C#N)N

DOS

IR

Vibrations