Geometry & MOs

Info

ID:	302174
PubChem CID:	124360311
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	443.242021
ΔH_f, kcal/mol:	-85.17
Dipole, Da:	2.26
IP(EA), eV:	-9.66(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2R)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCN1C(=O)[C@H]2CC3=CC=CC=C3CN2C1=O

DOS

IR

Vibrations