Geometry & MOs

Info

ID:	39051
PubChem CID:	8138524
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	10.16
Dipole, Da:	1.27
IP(EA), eV:	-8.93(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(N2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations