Geometry & MOs

Info

ID:	237234
PubChem CID:	92717965
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	453.099457
ΔH_f, kcal/mol:	39.82
Dipole, Da:	5.97
IP(EA), eV:	-8.93(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]ethyl] 5-nitrothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[C@H](C)SC2=NN=NN2C3=CC=CC=C3OC)C

DOS

IR

Vibrations