Geometry & MOs

Info

ID:	423683
PubChem CID:	135119984
Reduced:	FSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	364.072943
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	7.41
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)F

DOS

IR

Vibrations