Geometry & MOs

Info

ID:

318560

PubChem CID:

126651892

Reduced:

F4O6N10C51H62 (1)

Stoich.:

A4B6C10D51E62 (1)

Weight, g/mol:

496.243418

ΔHf, kcal/mol:

-379.58

Dipole, Da:

9.57

IP(EA), eV:

 -8.39(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-5-(1-aminoethylideneamino)-2-[[2-[(1S)-1-(1H-indole-3-carbonylamino)-3-methylbutyl]-1,3-oxazole-4-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCCCC6)F)C7=CC8=C(C=C7)N=C(N8)C9C[C@H](CN9C(=O)[C@H](C(C)C)NC(=O)OC)F)F)NC(=O)OC

DOS

IR

Vibrations