Geometry & MOs

Info

ID:	54222
PubChem CID:	16954628
Reduced:	SO3N5C28H31 (1)
Stoich.:	AB3C5D28E31 (1)
Weight, g/mol:	394.071131
ΔH_f, kcal/mol:	-46.6
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N2CCCC2=O)C(=O)NCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations