Geometry & MOs

Info

ID:

440116

PubChem CID:

135230016

Reduced:

ClNO2C17H23 (2)

Stoich.:

ABC2D17E23 (2)

Weight, g/mol:

660.309678

ΔHf, kcal/mol:

-214.99

Dipole, Da:

8.91

IP(EA), eV:

 -8.8(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-[4-[(2,6-dichloro-4-methoxybenzoyl)amino]phenyl]-2-[[1-(2,2,4,4,5,5-hexamethylhexyl)cyclopentanecarbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(C)CC(C)(C)CC1(CCCC1)C(=O)N[C@@H](CCC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)O

DOS

IR

Vibrations