Geometry & MOs

Info

ID:

340164

PubChem CID:

127262173

Reduced:

N4O4C19H28 (1)

Stoich.:

A4B4C19D28 (1)

Weight, g/mol:

557.230805

ΔHf, kcal/mol:

-147.55

Dipole, Da:

0.83

IP(EA), eV:

 -9.4(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-[[(2S)-2-formamido-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N([C@@H](CCCCN)C=O)[C@@H](CC1=CC=CC=C1)C(=O)N)NC=O

DOS

IR

Vibrations