Geometry & MOs

Info

ID:

17280

PubChem CID:

491291

Reduced:

N4O5C30H30 (1)

Stoich.:

A4B5C30D30 (1)

Weight, g/mol:

526.22162

ΔHf, kcal/mol:

-121.13

Dipole, Da:

8.95

IP(EA), eV:

 -8.54(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[1-[(2R,5R)-2,5-dimethylcyclopentyl]-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C1N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C(=O)O)N=C2C6=COC=C6)C

DOS

IR

Vibrations