Geometry & MOs

Info

ID:	33621
PubChem CID:	7887248
Reduced:	OS2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	11.33
Dipole, Da:	1.74
IP(EA), eV:	-8.54(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(pentan-3-ylamino)ethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)SC3=NC=NC4=C3C(=C(S4)C)C

DOS

IR

Vibrations