Geometry & MOs

Info

ID:

340168

PubChem CID:

127262177

Reduced:

ClN5O6C30H40 (1)

Stoich.:

AB5C6D30E40 (1)

Weight, g/mol:

424.224119

ΔHf, kcal/mol:

-246.53

Dipole, Da:

6.94

IP(EA), eV:

 -8.92(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N)[C@@H](CC(C)C)C(=O)CCl)NC(=O)[C@H](CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations