Geometry & MOs

Info

ID:	39163
PubChem CID:	8139838
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	272.046693
ΔH_f, kcal/mol:	-80.0
Dipole, Da:	7.63
IP(EA), eV:	-9.71(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

DOS

IR

Vibrations