Geometry & MOs

Info

ID:

17277

PubChem CID:

491258

Reduced:

N3O6C29H31 (1)

Stoich.:

A3B6C29D31 (1)

Weight, g/mol:

517.221286

ΔHf, kcal/mol:

-185.31

Dipole, Da:

7.04

IP(EA), eV:

 -9.03(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-[4-hydroxy-3-[(1S)-1-hydroxyethyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC(=C1)C[C@@H](C(=O)O)NC(=O)C2=CC3=C(C=C2)N(C(=N3)C4=COC=C4)C5CCCCC5)O)O

DOS

IR

Vibrations