Geometry & MOs

Info

ID:

128242

PubChem CID:

51036828

Reduced:

O3N7C30H37 (1)

Stoich.:

A3B7C30D37 (1)

Weight, g/mol:

597.295119

ΔHf, kcal/mol:

-60.8

Dipole, Da:

4.44

IP(EA), eV:

 -8.4(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=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)N(C)C

DOS

IR

Vibrations