Geometry & MOs

Info

ID:	434518
PubChem CID:	135175121
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-193.95
Dipole, Da:	7.31
IP(EA), eV:	-9.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carbonyl]amino]methanethioamide

Drug info:

PubChemData

Smile

CC(C)(CCOC(C)(C)CC(=O)O)OCC1=CC=CC=C1

DOS

IR

Vibrations