Geometry & MOs

Info

ID:

340130

PubChem CID:

127262139

Reduced:

N5O5C29H31 (1)

Stoich.:

A5B5C29D31 (1)

Weight, g/mol:

455.216869

ΔHf, kcal/mol:

-66.13

Dipole, Da:

8.66

IP(EA), eV:

 -9.37(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N(C3=CC=C(C=C3)[N+](=O)[O-])[C@@H](CC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations