Geometry & MOs

Info

ID:	23863
PubChem CID:	606885
Reduced:	OSF3N5H8C15 (1)
Stoich.:	ABC3D5E8F15 (1)
Weight, g/mol:	363.040166
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	4.81
IP(EA), eV:	-9.28(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-(indol-3-ylidenemethyl)-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3=C(N4C(=NC3=O)SC(=N4)C(F)(F)F)N)C=N2

DOS

IR

Vibrations