Geometry & MOs

Info

ID:	60655
PubChem CID:	26697355
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	2.32
IP(EA), eV:	-9.71(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations