Geometry & MOs

Info

ID:

340062

PubChem CID:

127262071

Reduced:

O5N9C39H77 (1)

Stoich.:

A5B9C39D77 (1)

Weight, g/mol:

752.433344

ΔHf, kcal/mol:

-323.09

Dipole, Da:

5.66

IP(EA), eV:

 -9.17(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-N-ethyl-4-methylpentanamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCN([C@@H](CCCN=C(N)N)C(=O)N)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)N

DOS

IR

Vibrations