Geometry & MOs

Info

ID:

340083

PubChem CID:

127262092

Reduced:

O3N8C28H34 (1)

Stoich.:

A3B8C28D34 (1)

Weight, g/mol:

447.213121

ΔHf, kcal/mol:

-44.43

Dipole, Da:

9.87

IP(EA), eV:

 -8.76(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-[bis(1H-imidazol-2-yl)methyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C1=CC2=CC=CC=C2C=C1)[C@@H](CC3=CN=CN3)C(=O)N)NC(=O)[C@H](CC4=CN=CN4)N

DOS

IR

Vibrations