Geometry & MOs

Info

ID:

17278

PubChem CID:

491289

Reduced:

N4O5H28C30 (1)

Stoich.:

A4B5C28D30 (1)

Weight, g/mol:

524.20597

ΔHf, kcal/mol:

-92.04

Dipole, Da:

12.87

IP(EA), eV:

 -8.25(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[1-[(2R)-2-bicyclo[2.2.1]heptanyl]-2-(furan-3-yl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1CC2CC1C[C@H]2N3C4=C(C=C(C=C4)C(=O)N[C@@H](CC5=CNC6=C5C=C(C=C6)O)C(=O)O)N=C3C7=COC=C7

DOS

IR

Vibrations