Geometry & MOs

Info

ID:	126162
PubChem CID:	50953979
Reduced:	FSO2N6H15C17 (1)
Stoich.:	ABC2D6E15F17 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	6.63
Dipole, Da:	3.17
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=NC2=C(N1)C=C(C=C2)F)C(=O)C3=CC=C(O3)CSC4=NC=NN4

DOS

IR

Vibrations