Geometry & MOs

Info

ID:	33652
PubChem CID:	7887348
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	339.092915
ΔH_f, kcal/mol:	-75.7
Dipole, Da:	4.27
IP(EA), eV:	-8.72(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations