Geometry & MOs

Info

ID:

325066

PubChem CID:

126679794

Reduced:

O2N4C27H30 (1)

Stoich.:

A2B4C27D30 (1)

Weight, g/mol:

568.18089

ΔHf, kcal/mol:

14.08

Dipole, Da:

3.62

IP(EA), eV:

 -8.7(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(=CC1)C2=CC=CC(=C2)C3=CC4=C(C=C3)N5C=C(N=C5CO4)CN6CCOCC6

DOS

IR

Vibrations