Geometry & MOs

Info

ID:

52752

PubChem CID:

12015847

Reduced:

N3O5C30H35 (1)

Stoich.:

A3B5C30D35 (1)

Weight, g/mol:

517.257671

ΔHf, kcal/mol:

-146.32

Dipole, Da:

4.54

IP(EA), eV:

 -9.51(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-4-methyl-2-[[(2S)-1-[(Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2N=C([C@H](O2)C3=CC=CC=C3)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations