Geometry & MOs

Info

ID:	280689
PubChem CID:	103850738
Reduced:	N4O5C10H16 (1)
Stoich.:	A4B5C10D16 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-98.24
Dipole, Da:	6.07
IP(EA), eV:	-10.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CN1C=C(C=N1)[N+](=O)[O-]

DOS

IR

Vibrations