Geometry & MOs

Info

ID:

445030

PubChem CID:

135264292

Reduced:

SN5O5C39H51 (1)

Stoich.:

AB5C5D39E51 (1)

Weight, g/mol:

607.307993

ΔHf, kcal/mol:

-163.1

Dipole, Da:

8.46

IP(EA), eV:

 -8.78(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[3-(4-heptoxyphenyl)-2-hydroxyimidazolidin-1-yl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(N[C@H](CCN)C(=O)O)O)NC(=O)C4=CC=C(S4)C(C)(C)C

DOS

IR

Vibrations