Geometry & MOs

Info

ID:	157306
PubChem CID:	56422782
Reduced:	OF2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	412.023473
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	4.98
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyrimidin-2-yl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N(N=C1)CC2=C(C=CC(=C2)F)F)NC(=O)C3CCCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations