Geometry & MOs

Info

ID:	69099
PubChem CID:	46518373
Reduced:	ClF3N3O3C23H25 (1)
Stoich.:	AB3C3D3E23F25 (1)
Weight, g/mol:	382.055818
ΔH_f, kcal/mol:	-242.31
Dipole, Da:	4.8
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=CC=CC(=C2)C(=O)N3CCCN(CC3)C4=C(C=C(C=N4)C(F)(F)F)Cl

DOS

IR

Vibrations