Geometry & MOs

Info

ID:	64592
PubChem CID:	29203127
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	268.105922
ΔH_f, kcal/mol:	-219.67
Dipole, Da:	6.23
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C(C)C

DOS

IR

Vibrations