Geometry & MOs

Info

ID:	433344
PubChem CID:	135173481
Reduced:	O2N3C10H23 (1)
Stoich.:	A2B3C10D23 (1)
Weight, g/mol:	503.278407
ΔH_f, kcal/mol:	-96.6
Dipole, Da:	2.86
IP(EA), eV:	-8.3(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(oxan-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCOCC(N)O

DOS

IR

Vibrations