Geometry & MOs

Info

ID:	36636
PubChem CID:	8010194
Reduced:	FOSN5C11H12 (1)
Stoich.:	ABCD5E11F12 (1)
Weight, g/mol:	350.061966
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	5.35
IP(EA), eV:	-8.69(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CSC2=NNC(=N2)N)F

DOS

IR

Vibrations