Geometry & MOs

Info

ID:	33667
PubChem CID:	7887386
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	370.062343
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	1.97
IP(EA), eV:	-8.77(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)S[C@@H](C)C(=O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations