Geometry & MOs

Info

ID:	33656
PubChem CID:	7887356
Reduced:	NSO3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-111.26
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(C)C)NC(=O)COC(=O)C1=CC2=CC=CC=C2S1

DOS

IR

Vibrations