Geometry & MOs

Info

ID:

15699

PubChem CID:

447440

Reduced:

SO5N7C23H37 (1)

Stoich.:

AB5C7D23E37 (1)

Weight, g/mol:

523.257688

ΔHf, kcal/mol:

-213.34

Dipole, Da:

4.02

IP(EA), eV:

 -9.31(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(3S)-1-amino-6-(diaminomethylideneamino)-2,2-dihydroxyhexan-3-yl]-1-[(2R)-3-phenyl-2-[(2-sulfanylacetyl)amino]propanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CS)C(=O)N[C@@H](CCCN=C(N)N)C(CN)(O)O

DOS

IR

Vibrations