Geometry & MOs

Info

ID:

219855

PubChem CID:

85164966

Reduced:

N5O9C29H45 (1)

Stoich.:

A5B9C29D45 (1)

Weight, g/mol:

607.325751

ΔHf, kcal/mol:

-388.01

Dipole, Da:

2.54

IP(EA), eV:

 -9.71(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-hydroxy-3-[[1-[3-methyl-2-(3-phenylprop-2-enoylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-5-phenoxypentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(C(C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations