Geometry & MOs

Info

ID:	138304
PubChem CID:	52343332
Reduced:	OSN4C16H28 (1)
Stoich.:	ABC4D16E28 (1)
Weight, g/mol:	322.138937
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	3.19
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=NC(=CS1)CN2CCC(CC2)C

DOS

IR

Vibrations