Geometry & MOs

Info

ID:

128243

PubChem CID:

51036829

Reduced:

N5O5C34H39 (1)

Stoich.:

A5B5C34D39 (1)

Weight, g/mol:

601.32642

ΔHf, kcal/mol:

-162.69

Dipole, Da:

4.21

IP(EA), eV:

 -8.98(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[(2S)-2-hydroxy-3-methylbutanoyl]-N-[4-[4-[2-[(2S)-1-[(2S)-2-hydroxy-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)N1CC[C@H](C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)C4=CN=C(N4)[C@@H]5CCCN5C(=O)CCC(=O)C

DOS

IR

Vibrations