Geometry & MOs

Info

ID:

339998

PubChem CID:

127262007

Reduced:

O2N4C11H16 (2)

Stoich.:

A2B4C11D16 (2)

Weight, g/mol:

550.06133

ΔHf, kcal/mol:

-136.79

Dipole, Da:

4.23

IP(EA), eV:

 -9.38(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[(2-amino-2-oxoethyl)-(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]-3-(3,5-dibromo-4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(CC(=O)N)C(C1=NC=CN1)C2=NC=CN2)NC(=O)[C@@H]3CCCN3C(=O)C

DOS

IR

Vibrations