Geometry & MOs

Info

ID:

340156

PubChem CID:

127262165

Reduced:

SN5O7C31H43 (1)

Stoich.:

AB5C7D31E43 (1)

Weight, g/mol:

554.289306

ΔHf, kcal/mol:

-284.55

Dipole, Da:

8.63

IP(EA), eV:

 -8.74(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-2-[benzyl(prop-2-enyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations