Geometry & MOs

Info

ID:

340132

PubChem CID:

127262141

Reduced:

N5O5C22H27 (1)

Stoich.:

A5B5C22D27 (1)

Weight, g/mol:

498.222683

ΔHf, kcal/mol:

-98.58

Dipole, Da:

6.73

IP(EA), eV:

 -9.51(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC2=CC=CC=C2)C(=O)N)NC(=O)CN

DOS

IR

Vibrations