Geometry & MOs

Info

ID:

324831

PubChem CID:

126678431

Reduced:

O2N6C25H30 (1)

Stoich.:

A2B6C25D30 (1)

Weight, g/mol:

580.18089

ΔHf, kcal/mol:

31.03

Dipole, Da:

2.32

IP(EA), eV:

 -8.78(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[1-[(4-bromobenzoyl)amino]cyclopentanecarbonyl]-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=C(C=C3)CN)N4CCOCC4

DOS

IR

Vibrations