Geometry & MOs

Info

ID:	76753
PubChem CID:	48425331
Reduced:	FSO2N3C18H22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-104.69
Dipole, Da:	3.29
IP(EA), eV:	-9.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-N-[2-(diethylamino)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N=C(S1)CC2=CC=C(C=C2)F)C

DOS

IR

Vibrations