Geometry & MOs

Info

ID:	194409
PubChem CID:	78531182
Reduced:	FOSN4C21H21 (1)
Stoich.:	ABCD4E21F21 (1)
Weight, g/mol:	383.087453
ΔH_f, kcal/mol:	6.24
Dipole, Da:	2.29
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-1-(3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=CC=C4F

DOS

IR

Vibrations