Geometry & MOs

Info

ID:	32537
PubChem CID:	7842691
Reduced:	FOSN3H18C23 (1)
Stoich.:	ABCD3E18F23 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	57.03
Dipole, Da:	4.26
IP(EA), eV:	-8.93(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)F

DOS

IR

Vibrations