Geometry & MOs

Info

ID:

336586

PubChem CID:

127255593

Reduced:

NaS3N8O8C18H19 (1)

Stoich.:

AB3C8D8E18F19 (1)

Weight, g/mol:

383.278407

ΔHf, kcal/mol:

-250.38

Dipole, Da:

11.32

IP(EA), eV:

 -9.0(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-acetamido-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-4-methyl-N-[(2S)-1-oxohexan-2-yl]pentanamide

Drug info:

PubChemData

Smile

CN1C(=NC(=O)C(=O)N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)[O-].O.[Na+]

DOS

IR

Vibrations