Geometry & MOs

Info

ID:

440136

PubChem CID:

135230036

Reduced:

N3O5C35H53 (1)

Stoich.:

A3B5C35D53 (1)

Weight, g/mol:

585.323643

ΔHf, kcal/mol:

-268.27

Dipole, Da:

4.1

IP(EA), eV:

 -9.3(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-[4-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)phenyl]-2-[[1-(2,2,4-trimethyl-4-methylsulfanylpentyl)cyclopentanecarbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C(=O)N1C)C)C2=CC=C(C=C2)CC[C@@H](C(=O)O)NC(=O)C3(CCCC3)CC(C)(C)CC(C)(C)C(C)(C)C

DOS

IR

Vibrations