Geometry & MOs

Info

ID:	280704
PubChem CID:	103850832
Reduced:	F2N2O5C12H14 (1)
Stoich.:	A2B2C5D12E14 (1)
Weight, g/mol:	326.075885
ΔH_f, kcal/mol:	-208.79
Dipole, Da:	6.5
IP(EA), eV:	-10.31(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1=C(C=CC(=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations