Geometry & MOs

Info

ID:

340150

PubChem CID:

127262159

Reduced:

SN5O8C28H39 (1)

Stoich.:

AB5C8D28E39 (1)

Weight, g/mol:

499.243084

ΔHf, kcal/mol:

-321.3

Dipole, Da:

3.94

IP(EA), eV:

 -8.97(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-(2-hydroxyethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](N([C@@H](CC1=CC=CC=C1)C(=O)N)C(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)S(=O)(=O)O

DOS

IR

Vibrations