Geometry & MOs

Info

ID:	134614
PubChem CID:	51726724
Reduced:	S2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	273.160303
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	7.57
IP(EA), eV:	-9.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(1-benzofuran-2-yl)ethyl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

DOS

IR

Vibrations