Geometry & MOs

Info

ID:

428613

PubChem CID:

135167793

Reduced:

O2N5C28H33 (1)

Stoich.:

A2B5C28D33 (1)

Weight, g/mol:

586.297762

ΔHf, kcal/mol:

-30.53

Dipole, Da:

5.7

IP(EA), eV:

 -8.74(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-N-[[2-tert-butyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-hydroxy-1-[(2S)-3-methyl-2-(3-methylidene-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)N1C2=CC(=CC(=C2C=N1)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CN=C(C=C4)C(C)C

DOS

IR

Vibrations