Geometry & MOs

Info

ID:	39164
PubChem CID:	8139840
Reduced:	SN2O5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	3.27
IP(EA), eV:	-10.22(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(diethylamino)-2-oxo-1-phenylethyl] 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=CC=C(S1)[N+](=O)[O-]

DOS

IR

Vibrations