Geometry & MOs

Info

ID:

307132

PubChem CID:

125269344

Reduced:

SN3O9C31H49 (1)

Stoich.:

AB3C9D31E49 (1)

Weight, g/mol:

354.201553

ΔHf, kcal/mol:

-404.46

Dipole, Da:

5.5

IP(EA), eV:

 -9.03(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-6-amino-2-[[(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4H-imidazol-5-yl)propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C=C/C=C/[C@@H]([C@@H](CCCC(=O)OC)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

DOS

IR

Vibrations