Geometry & MOs

Info

ID:	433336
PubChem CID:	135173473
Reduced:	O3N5H7C10 (1)
Stoich.:	A3B5C7D10 (1)
Weight, g/mol:	546.230077
ΔH_f, kcal/mol:	-20.1
Dipole, Da:	3.11
IP(EA), eV:	-9.66(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[1-(1-hydroxy-1,3-dihydroisoindol-2-yl)cyclopentanecarbonyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1NC=C(C(=O)N1)N2C(=O)C3=NC=CN=C3C2=O

DOS

IR

Vibrations