Geometry & MOs

Info

ID:	56410
PubChem CID:	17425378
Reduced:	O2N4F5C16H17 (1)
Stoich.:	A2B4C5D16E17 (1)
Weight, g/mol:	417.129317
ΔH_f, kcal/mol:	-287.67
Dipole, Da:	4.98
IP(EA), eV:	-9.36(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C)CC2=C(C(=C(C(=C2F)F)F)F)F)N

DOS

IR

Vibrations