Geometry & MOs

Info

ID:

128244

PubChem CID:

51036830

Reduced:

N5O5C34H43 (1)

Stoich.:

A5B5C34D43 (1)

Weight, g/mol:

565.30529

ΔHf, kcal/mol:

-188.27

Dipole, Da:

2.46

IP(EA), eV:

 -8.69(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-pent-4-enoyl-N-[4-[4-[2-[(2S)-1-pent-4-enoylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](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)[C@H](C(C)C)O)O

DOS

IR

Vibrations