Geometry & MOs

Info

ID:

324881

PubChem CID:

126678538

Reduced:

BrFO4N6C24H36 (1)

Stoich.:

ABC4D6E24F36 (1)

Weight, g/mol:

586.17147

ΔHf, kcal/mol:

-205.34

Dipole, Da:

7.42

IP(EA), eV:

 -9.02(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=NCCC[C@@H](C(=O)CF)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)Br)N

DOS

IR

Vibrations