Geometry & MOs

Info

ID:

59784

PubChem CID:

24897065

Reduced:

N3O5C13H19 (2)

Stoich.:

A3B5C13D19 (2)

Weight, g/mol:

481.259009

ΔHf, kcal/mol:

-451.88

Dipole, Da:

7.62

IP(EA), eV:

 -9.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-methyl-2-[(2S)-pyrrolidin-2-yl]-4-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@H](CCC(=O)N)N)O

DOS

IR

Vibrations